 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer11_STD_B3LYPDBJ_augccpVDZ.in
 Output=30_ibuprofen_conformer11_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-6678.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      6697.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer11_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer11_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.999465000000     -1.196404000000      0.969136000000
  C                                                 1.596854000000     -0.854615000000     -0.242805000000
  C                                                -0.373383000000     -1.089601000000      1.148990000000
  C                                                -1.197567000000     -0.646006000000      0.118540000000
  C                                                -0.607540000000     -0.309456000000     -1.099214000000
  C                                                 0.764497000000     -0.415297000000     -1.273478000000
  C                                                 3.089352000000     -0.933039000000     -0.426740000000
  C                                                 3.863458000000      0.355956000000     -0.060011000000
  C                                                 3.724742000000      0.714773000000      1.418841000000
  C                                                 3.474654000000      1.538350000000     -0.946480000000
  C                                                -2.698290000000     -0.547550000000      0.336035000000
  C                                                -3.112492000000      0.912406000000      0.380989000000
  O                                                -3.301927000000      1.545130000000      1.386242000000
  O                                                -3.236904000000      1.461286000000     -0.851756000000
  H                                                 1.615792000000     -1.553364000000      1.784982000000
  H                                                -0.810943000000     -1.358118000000      2.102796000000
  H                                                -1.221792000000      0.044896000000     -1.915977000000
  H                                                 1.198598000000     -0.153574000000     -2.230639000000
  H                                                 3.310060000000     -1.178961000000     -1.468652000000
  H                                                 3.483227000000     -1.751920000000      0.180680000000
  H                                                 4.918355000000      0.129746000000     -0.250425000000
  H                                                 2.693477000000      0.972860000000      1.666766000000
  H                                                 4.350853000000      1.574253000000      1.666193000000
  H                                                 4.026509000000     -0.115358000000      2.061505000000
  H                                                 3.596304000000      1.300958000000     -2.005766000000
  H                                                 4.098076000000      2.406584000000     -0.724159000000
  H                                                 2.434212000000      1.826365000000     -0.784696000000
  H                                                -2.911214000000     -0.920205000000      1.337383000000
  C                                                -3.505151000000     -1.357997000000     -0.684885000000
  H                                                -3.465219000000      2.394674000000     -0.720115000000
  H                                                -3.324283000000     -1.011646000000     -1.700587000000
  H                                                -4.575148000000     -1.279853000000     -0.485627000000
  H                                                -3.217816000000     -2.407791000000     -0.623061000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393734   0.000000
     3  C    1.388692   2.423664   0.000000
     4  C    2.419380   2.825398   1.392079   0.000000
     5  C    2.765360   2.426930   2.391208   1.394390   0.000000
     6  C    2.386348   1.395745   2.760038   2.416741   1.387103
     7  C    2.526946   1.505833   3.807620   4.330981   3.808948
     8  C    3.416346   2.576119   4.637040   5.162343   4.638161
     9  C    3.358864   3.122812   4.485891   5.269879   5.114520
    10  C    4.156323   3.122110   5.109257   5.266434   4.483528
    11  C    3.807259   4.344837   2.521886   1.519594   2.547129
    12  C    4.658453   5.068473   3.478588   2.482834   3.155746
    13  O    5.117808   5.693033   3.946450   3.291880   4.108126
    14  O    5.322197   5.394389   4.325478   3.088859   3.179673
    15  H    1.082998   2.144884   2.139247   3.393423   3.848259
    16  H    2.142175   3.398948   1.083193   2.143328   3.375490
    17  H    3.846906   3.399028   3.376522   2.148765   1.081653
    18  H    3.371307   2.145122   3.843067   3.391569   2.136950
    19  H    3.358863   2.131426   4.519711   4.808526   4.029902
    20  H    2.664458   2.131408   4.031096   4.810066   4.522522
    21  H    4.313201   3.464303   5.607821   6.175956   5.607928
    22  H    2.839379   2.861592   3.731952   4.489761   4.493517
    23  H    4.403888   4.138621   5.448121   6.173309   5.981764
    24  H    3.394838   3.429223   4.597922   5.598899   5.612685
    25  H    4.672305   3.428167   5.605861   5.593259   4.592121
    26  H    5.044815   4.138023   5.977118   6.170274   5.446133
    27  H    3.777772   2.860501   4.486044   4.485340   3.730001
    28  H    3.937677   4.777444   2.550446   2.120695   3.408362
    29  C    4.801402   5.145802   3.639108   2.545067   3.109221
    30  H    5.973509   6.034094   5.019280   3.884755   3.952514
    31  H    5.084914   5.134917   4.102923   2.822381   2.869741
    32  H    5.761910   6.191397   4.512538   3.489245   4.130384
    33  H    4.667763   5.073263   3.601193   2.781234   3.382791
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.527840   0.000000
     8  C    3.416269   1.547656   0.000000
     9  C    4.157967   2.554442   1.528069   0.000000
    10  C    3.356876   2.554672   1.528088   2.517055   0.000000
    11  C    3.820853   5.850404   6.635489   6.634853   6.640863
    12  C    4.419400   6.520810   7.011989   6.918379   6.748664
    13  O    5.239579   7.090605   7.405979   7.075637   7.166846
    14  O    4.439665   6.777532   7.229368   7.360530   6.712669
    15  H    3.372548   2.729083   3.478722   3.118682   4.524925
    16  H    3.843195   4.668142   5.428242   5.033598   6.004494
    17  H    2.137739   4.664777   5.422281   6.003161   5.022642
    18  H    1.083097   2.727007   3.474583   4.522625   3.113214
    19  H    2.664801   1.093055   2.155572   3.477902   2.771919
    20  H    3.360451   1.093006   2.155377   2.770550   3.477994
    21  H    4.312568   2.122699   1.095553   2.133874   2.133760
    22  H    3.780606   2.858660   2.175129   1.091597   2.785511
    23  H    5.045981   3.501181   2.168313   1.091743   2.755916
    24  H    4.674698   2.781767   2.179347   1.092336   3.476675
    25  H    3.391299   2.782277   2.179533   3.476786   1.092355
    26  H    4.401990   3.501295   2.168228   2.755731   1.091747
    27  H    2.837588   2.858610   2.174860   2.785082   1.091626
    28  H    4.536781   6.254525   7.034023   6.834888   7.213864
    29  C    4.411918   6.613221   7.591080   7.809827   7.561411
    30  H    5.108096   7.356775   7.635549   7.687180   6.996168
    31  H    4.154055   6.539387   7.498363   7.899374   7.300459
    32  H    5.466258   7.672569   8.606224   8.746068   8.541309
    33  H    4.500210   6.480263   7.622320   7.881553   7.775975
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518241   0.000000
    13  O    2.417979   1.202813   0.000000
    14  O    2.395073   1.355141   2.240512   0.000000
    15  H    4.660731   5.514335   5.826115   6.291992   0.000000
    16  H    2.709344   3.662926   3.891953   4.750127   2.455233
    17  H    2.757281   3.098931   4.181186   2.683170   4.929849
    18  H    4.682816   5.151933   6.018484   4.917598   4.273017
    19  H    6.305224   7.003154   7.699965   7.086198   3.687391
    20  H    6.299666   7.116338   7.639518   7.520025   2.469924
    21  H    7.669156   8.093562   8.500296   8.285098   4.228790
    22  H    5.757920   5.946945   6.029184   6.461496   2.749034
    23  H    7.480761   7.602060   7.657954   7.995429   4.156520
    24  H    6.956073   7.405793   7.544480   7.983111   2.820617
    25  H    6.965840   7.131305   7.690964   6.931823   5.141921
    26  H    7.486088   7.446221   7.743122   7.396743   5.304593
    27  H    5.764901   5.741086   6.139654   5.683251   4.323844
    28  H    1.089452   2.076937   2.496582   3.251139   4.592931
    29  C    1.533012   2.538700   3.571976   2.836928   5.688802
    30  H    3.218744   1.879884   2.277088   0.969882   6.905012
    31  H    2.180615   2.842497   4.008256   2.616016   6.070172
    32  H    2.175774   2.774236   3.620154   3.072261   6.599865
    33  H    2.156448   3.470291   4.435083   3.875877   5.467402
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276422   0.000000
    18  H    4.926240   2.448814   0.000000
    19  H    5.456189   4.715465   2.467856   0.000000
    20  H    4.721176   5.455431   3.686285   1.754584   0.000000
    21  H    6.369949   6.362599   4.223519   2.404871   2.405434
    22  H    4.231376   5.387624   4.323573   3.852448   3.202590
    23  H    5.952609   6.798915   5.301641   4.300080   3.744723
    24  H    4.994707   6.587162   5.140140   3.755870   2.551665
    25  H    6.585954   4.979940   2.813401   2.553512   3.756780
    26  H    6.801700   5.941296   4.151008   3.745847   4.299992
    27  H    5.386054   4.221350   2.745478   3.204199   3.851819
    28  H    2.277886   3.790767   5.496277   6.829717   6.551228
    29  C    3.876844   2.949140   5.095610   6.862466   7.052787
    30  H    5.394206   3.461865   5.525074   7.696465   8.141657
    31  H    4.571941   2.362867   4.633972   6.640504   7.101363
    32  H    4.568949   3.878899   6.135936   7.946888   8.099643
    33  H    3.784858   3.416346   5.212534   6.696134   6.780866
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055576   0.000000
    23  H    2.466188   1.763113   0.000000
    24  H    2.490077   1.765506   1.765292   0.000000
    25  H    2.490136   3.796082   3.758632   4.328247   0.000000
    26  H    2.466024   3.121696   2.543709   3.758356   1.765418
    27  H    3.055311   2.608708   3.121527   3.795597   1.765651
    28  H    8.057647   5.924926   7.685574   7.021690   7.645783
    29  C    8.564904   7.027528   8.708757   8.112503   7.697105
    30  H    8.696828   6.756352   8.213315   8.376375   7.260456
    31  H    8.446705   7.175707   8.770963   8.306071   7.303136
    32  H    9.600463   7.908250   9.615079   9.046128   8.703105
    33  H    8.530840   7.184392   8.853367   8.058684   7.880287
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.763168   0.000000
    28  H    8.027928   6.373417   0.000000
    29  C    8.484260   6.739893   2.152671   0.000000
    30  H    7.563305   5.927093   3.940640   3.753049   0.000000
    31  H    8.229770   6.484861   3.067287   1.088266   3.547422
    32  H    9.427170   7.672624   2.494271   1.091194   3.845657
    33  H    8.758465   7.063967   2.479971   1.090161   4.809813
                   31         32         33
    31  H    0.000000
    32  H    1.764292   0.000000
    33  H    1.766810   1.770165   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.67D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1743027           0.2878852           0.2796173
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       983.9721115949 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0630703713 Hartrees.
 Nuclear repulsion after empirical dispersion term =      983.9090412237 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.00D-06  NBF=   507
 NBsUse=   507 1.00D-06 EigRej= -1.00D+00 NBFU=   507
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               9.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer11_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               9.2 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.839661944986    
 DIIS: error= 1.90D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.839661944986     IErMin= 1 ErrMin= 1.90D-03
 ErrMax= 1.90D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-03 BMatP= 7.07D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.90D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.219 Goal=   None    Shift=    0.000
 GapD=    0.219 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.20D-01 MaxDP=1.50D+01              OVMax= 1.42D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.30D-02    CP:  2.52D+00
 E= -656.845441481687     Delta-E=       -0.005779536701 Rises=F Damp=F
 DIIS: error= 2.64D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.845441481687     IErMin= 2 ErrMin= 2.64D-04
 ErrMax= 2.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-04 BMatP= 7.07D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.64D-03
 Coeff-Com:  0.125D-01 0.987D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.125D-01 0.988D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=4.48D-03 MaxDP=5.85D-01 DE=-5.78D-03 OVMax= 4.54D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.75D-04    CP:  2.57D+00  1.04D+00
 E= -656.845324933463     Delta-E=        0.000116548224 Rises=F Damp=F
 DIIS: error= 4.39D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.845441481687     IErMin= 2 ErrMin= 2.64D-04
 ErrMax= 4.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-04 BMatP= 1.21D-04
 IDIUse=3 WtCom= 3.23D-01 WtEn= 6.77D-01
 Coeff-Com: -0.794D-02 0.614D+00 0.394D+00
 Coeff-En:   0.000D+00 0.665D+00 0.335D+00
 Coeff:     -0.257D-02 0.648D+00 0.354D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=1.96D-04 MaxDP=1.60D-02 DE= 1.17D-04 OVMax= 3.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.14D-04    CP:  2.58D+00  1.04D+00  9.26D-01
 E= -656.845540354691     Delta-E=       -0.000215421228 Rises=F Damp=F
 DIIS: error= 6.68D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.845540354691     IErMin= 4 ErrMin= 6.68D-05
 ErrMax= 6.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-06 BMatP= 1.21D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.525D-02 0.291D+00 0.171D+00 0.543D+00
 Coeff:     -0.525D-02 0.291D+00 0.171D+00 0.543D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=1.12D-02 DE=-2.15D-04 OVMax= 6.80D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.63D-05    CP:  2.58D+00  1.04D+00  9.09D-01  1.21D+00
 E= -656.845543606939     Delta-E=       -0.000003252248 Rises=F Damp=F
 DIIS: error= 4.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.845543606939     IErMin= 5 ErrMin= 4.55D-05
 ErrMax= 4.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-06 BMatP= 5.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.177D-02 0.526D-01 0.282D-01 0.354D+00 0.567D+00
 Coeff:     -0.177D-02 0.526D-01 0.282D-01 0.354D+00 0.567D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=3.86D-05 MaxDP=4.87D-03 DE=-3.25D-06 OVMax= 3.19D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.57D-05    CP:  2.58D+00  1.04D+00  9.10D-01  1.23D+00  9.58D-01
 E= -656.845544734043     Delta-E=       -0.000001127104 Rises=F Damp=F
 DIIS: error= 7.12D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.845544734043     IErMin= 6 ErrMin= 7.12D-06
 ErrMax= 7.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.91D-08 BMatP= 1.55D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.547D-03 0.783D-02 0.415D-02 0.157D+00 0.316D+00 0.515D+00
 Coeff:     -0.547D-03 0.783D-02 0.415D-02 0.157D+00 0.316D+00 0.515D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=6.07D-06 MaxDP=4.54D-04 DE=-1.13D-06 OVMax= 8.42D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.48D-06    CP:  2.58D+00  1.04D+00  9.14D-01  1.21D+00  9.11D-01
                    CP:  9.60D-01
 E= -656.845544823425     Delta-E=       -0.000000089382 Rises=F Damp=F
 DIIS: error= 1.34D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.845544823425     IErMin= 7 ErrMin= 1.34D-06
 ErrMax= 1.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-09 BMatP= 9.91D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.920D-04-0.122D-02-0.386D-03 0.380D-01 0.896D-01 0.232D+00
 Coeff-Com:  0.642D+00
 Coeff:     -0.920D-04-0.122D-02-0.386D-03 0.380D-01 0.896D-01 0.232D+00
 Coeff:      0.642D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=1.99D-06 MaxDP=1.12D-04 DE=-8.94D-08 OVMax= 3.63D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.52D-06    CP:  2.58D+00  1.04D+00  9.15D-01  1.21D+00  9.15D-01
                    CP:  9.72D-01  7.67D-01
 E= -656.845544827113     Delta-E=       -0.000000003688 Rises=F Damp=F
 DIIS: error= 8.12D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.845544827113     IErMin= 8 ErrMin= 8.12D-07
 ErrMax= 8.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-09 BMatP= 4.73D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-04-0.122D-02-0.455D-03 0.116D-01 0.310D-01 0.102D+00
 Coeff-Com:  0.396D+00 0.461D+00
 Coeff:     -0.192D-04-0.122D-02-0.455D-03 0.116D-01 0.310D-01 0.102D+00
 Coeff:      0.396D+00 0.461D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=7.39D-07 MaxDP=4.70D-05 DE=-3.69D-09 OVMax= 1.66D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.74D-07    CP:  2.58D+00  1.04D+00  9.15D-01  1.21D+00  9.18D-01
                    CP:  9.55D-01  8.39D-01  8.61D-01
 E= -656.845544828426     Delta-E=       -0.000000001313 Rises=F Damp=F
 DIIS: error= 2.05D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.845544828426     IErMin= 9 ErrMin= 2.05D-07
 ErrMax= 2.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.98D-11 BMatP= 1.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.410D-05-0.466D-03-0.186D-03 0.613D-03 0.331D-02 0.207D-01
 Coeff-Com:  0.117D+00 0.251D+00 0.609D+00
 Coeff:      0.410D-05-0.466D-03-0.186D-03 0.613D-03 0.331D-02 0.207D-01
 Coeff:      0.117D+00 0.251D+00 0.609D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=2.30D-07 MaxDP=2.82D-05 DE=-1.31D-09 OVMax= 4.37D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.37D-07    CP:  2.58D+00  1.04D+00  9.15D-01  1.21D+00  9.17D-01
                    CP:  9.60D-01  8.27D-01  8.79D-01  9.27D-01
 E= -656.845544828602     Delta-E=       -0.000000000176 Rises=F Damp=F
 DIIS: error= 4.98D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.845544828602     IErMin=10 ErrMin= 4.98D-08
 ErrMax= 4.98D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.56D-12 BMatP= 8.98D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.359D-05-0.182D-03-0.708D-04-0.434D-03-0.196D-03 0.483D-02
 Coeff-Com:  0.385D-01 0.106D+00 0.330D+00 0.521D+00
 Coeff:      0.359D-05-0.182D-03-0.708D-04-0.434D-03-0.196D-03 0.483D-02
 Coeff:      0.385D-01 0.106D+00 0.330D+00 0.521D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=8.13D-08 MaxDP=9.27D-06 DE=-1.76D-10 OVMax= 1.04D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.85D-08    CP:  2.58D+00  1.04D+00  9.15D-01  1.21D+00  9.18D-01
                    CP:  9.59D-01  8.27D-01  8.85D-01  9.38D-01  9.26D-01
 E= -656.845544828662     Delta-E=       -0.000000000060 Rises=F Damp=F
 DIIS: error= 1.61D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.845544828662     IErMin=11 ErrMin= 1.61D-08
 ErrMax= 1.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-13 BMatP= 7.56D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-05-0.398D-04-0.129D-04-0.263D-03-0.385D-03 0.340D-03
 Coeff-Com:  0.729D-02 0.250D-01 0.950D-01 0.239D+00 0.634D+00
 Coeff:      0.120D-05-0.398D-04-0.129D-04-0.263D-03-0.385D-03 0.340D-03
 Coeff:      0.729D-02 0.250D-01 0.950D-01 0.239D+00 0.634D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=3.01D-08 MaxDP=3.97D-06 DE=-6.05D-11 OVMax= 4.27D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.45D-08    CP:  2.58D+00  1.04D+00  9.15D-01  1.21D+00  9.18D-01
                    CP:  9.59D-01  8.28D-01  8.88D-01  9.46D-01  9.64D-01
                    CP:  7.73D-01
 E= -656.845544828728     Delta-E=       -0.000000000066 Rises=F Damp=F
 DIIS: error= 1.14D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.845544828728     IErMin=12 ErrMin= 1.14D-08
 ErrMax= 1.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-13 BMatP= 4.27D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.355D-06-0.531D-05-0.330D-07-0.118D-03-0.214D-03-0.314D-03
 Coeff-Com:  0.372D-03 0.369D-02 0.223D-01 0.884D-01 0.400D+00 0.486D+00
 Coeff:      0.355D-06-0.531D-05-0.330D-07-0.118D-03-0.214D-03-0.314D-03
 Coeff:      0.372D-03 0.369D-02 0.223D-01 0.884D-01 0.400D+00 0.486D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=8.65D-09 MaxDP=6.33D-07 DE=-6.59D-11 OVMax= 1.73D-07

 SCF Done:  E(RB3LYP) =  -656.845544829     A.U. after   12 cycles
            NFock= 12  Conv=0.86D-08     -V/T= 2.0060
 KE= 6.529560061304D+02 PE=-3.495253662396D+03 EE= 1.201543070213D+03
 Leave Link  502 at Wed Sep  8 12:40:15 2021, MaxMem=  6442450944 cpu:            5044.5 elap:             631.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   507
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    507 NOA=    56 NOB=    56 NVA=   451 NVB=   451

 **** Warning!!: The largest alpha MO coefficient is  0.11022997D+03

 Leave Link  801 at Wed Sep  8 12:40:15 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10227 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.21D-13 8.33D-09 XBig12= 1.00D+00 5.58D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.21D-13 8.33D-09 XBig12= 4.48D-01 1.46D-01.
     11 vectors produced by pass  2 Test12= 4.21D-13 8.33D-09 XBig12= 1.06D-01 1.18D-01.
     11 vectors produced by pass  3 Test12= 4.21D-13 8.33D-09 XBig12= 1.07D-02 2.61D-02.
     11 vectors produced by pass  4 Test12= 4.21D-13 8.33D-09 XBig12= 2.58D-03 1.60D-02.
     11 vectors produced by pass  5 Test12= 4.21D-13 8.33D-09 XBig12= 1.90D-04 2.51D-03.
     11 vectors produced by pass  6 Test12= 4.21D-13 8.33D-09 XBig12= 7.97D-06 3.61D-04.
     11 vectors produced by pass  7 Test12= 4.21D-13 8.33D-09 XBig12= 2.58D-07 6.95D-05.
     11 vectors produced by pass  8 Test12= 4.21D-13 8.33D-09 XBig12= 6.75D-09 1.23D-05.
     11 vectors produced by pass  9 Test12= 4.21D-13 8.33D-09 XBig12= 1.51D-10 1.55D-06.
      8 vectors produced by pass 10 Test12= 4.21D-13 8.33D-09 XBig12= 3.86D-12 2.35D-07.
      4 vectors produced by pass 11 Test12= 4.21D-13 8.33D-09 XBig12= 1.67D-13 3.01D-08.
      3 vectors produced by pass 12 Test12= 4.21D-13 8.33D-09 XBig12= 1.01D-13 2.17D-08.
      2 vectors produced by pass 13 Test12= 4.21D-13 8.33D-09 XBig12= 4.01D-14 1.52D-08.
      1 vectors produced by pass 14 Test12= 4.21D-13 8.33D-09 XBig12= 2.44D-14 1.16D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.218240D+03
      2 -0.171584D+01  0.140714D+03
      3 -0.616420D+00 -0.701286D+01  0.159128D+03
 Isotropic polarizability for W=    0.088559      172.69 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.168672D+03  0.579849D+02 -0.375526D+01
      2  -0.936219D+02 -0.309563D+02  0.163611D+02
      3  -0.750497D+02 -0.270286D+02 -0.126059D+02
      4  -0.234174D+02  0.671809D+02 -0.262700D+02
      5  -0.830457D+01 -0.288123D+02  0.101640D+03
      6  -0.121929D+02  0.120306D+02 -0.272702D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.429244D+01 -0.704747D+01  0.217994D+02
      2   0.101914D+02 -0.854943D+01  0.474392D+02
      3  -0.130668D+03 -0.349591D+02  0.125899D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.254230D+01 -0.433049D+01  0.241592D+00
      2   0.454931D+01 -0.140771D+02  0.176689D+03
      3  -0.814023D+02 -0.160803D+03  0.166194D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.138466D+01 -0.758619D+00  0.170722D+02
      2  -0.758619D+00  0.629464D+00 -0.113424D+01
      3   0.170722D+02 -0.113424D+01 -0.226609D+01
 OR G Eigenvalues:   -17.6164     0.5278    16.8367  Iso=     0.0840
 Eigenvectors:
   (1)  -0.667819   0.018490   0.744094
   (2)   0.072855   0.996515   0.040624
   (3)   0.740750  -0.081340   0.666838
 w=    0.088559 a.u., Optical Rotation Beta=      0.0840 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       20.65 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 6.96D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.31D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.02D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 7.02D-14 2.78D-09 XBig12= 3.08D-02 2.95D-02.
     30 vectors produced by pass  2 Test12= 7.02D-14 2.78D-09 XBig12= 1.58D-03 7.30D-03.
     30 vectors produced by pass  3 Test12= 7.02D-14 2.78D-09 XBig12= 4.29D-05 1.09D-03.
     30 vectors produced by pass  4 Test12= 7.02D-14 2.78D-09 XBig12= 6.01D-07 1.45D-04.
     30 vectors produced by pass  5 Test12= 7.02D-14 2.78D-09 XBig12= 7.83D-09 1.34D-05.
     30 vectors produced by pass  6 Test12= 7.02D-14 2.78D-09 XBig12= 5.54D-11 7.33D-07.
     30 vectors produced by pass  7 Test12= 7.02D-14 2.78D-09 XBig12= 4.38D-13 5.71D-08.
     12 vectors produced by pass  8 Test12= 7.02D-14 2.78D-09 XBig12= 2.61D-14 1.84D-08.
      5 vectors produced by pass  9 Test12= 7.02D-14 2.78D-09 XBig12= 1.05D-14 6.68D-09.
      2 vectors produced by pass 10 Test12= 7.02D-14 2.78D-09 XBig12= 3.20D-15 4.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.19D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.19D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.60D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.218240D+03 -0.171584D+01 -0.616420D+00
      2  -0.171584D+01  0.140714D+03 -0.701286D+01
      3  -0.616420D+00 -0.701286D+01  0.159128D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.429244D+01 -0.704747D+01  0.217994D+02
      2   0.101914D+02 -0.854943D+01  0.474392D+02
      3  -0.130668D+03 -0.349591D+02  0.125899D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.168672D+03  0.579849D+02 -0.375526D+01
      2  -0.936219D+02 -0.309563D+02  0.163611D+02
      3  -0.750497D+02 -0.270286D+02 -0.126059D+02
      4  -0.234174D+02  0.671809D+02 -0.262700D+02
      5  -0.830457D+01 -0.288123D+02  0.101640D+03
      6  -0.121929D+02  0.120306D+02 -0.272702D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118886D+02  0.757386D+00  0.130806D+01 -0.236793D+01  0.158476D+01
      2   0.757386D+00  0.216622D+01 -0.898149D+00  0.158476D+01 -0.364210D+01
      3   0.130806D+01 -0.898149D+00  0.326443D+01  0.200926D+01  0.231770D+01
                 6             7             8             9            10 
      1   0.200926D+01  0.152811D+02  0.159503D+01 -0.113863D+01  0.349911D+02
      2   0.231770D+01  0.159503D+01  0.769197D-01  0.148545D+01  0.165823D+01
      3   0.967799D+00 -0.113863D+01  0.148545D+01  0.966482D+00 -0.153202D+01
                11            12            13            14            15 
      1   0.165823D+01 -0.153202D+01 -0.572760D+00  0.450536D+01  0.108699D+01
      2   0.199393D+01 -0.733887D+00  0.450536D+01 -0.130807D+01 -0.114338D+00
      3  -0.733887D+00  0.315474D+01  0.108699D+01 -0.114338D+00 -0.842689D+00
                16            17            18            19            20 
      1  -0.366067D+01  0.789401D+00  0.153889D+01  0.158224D+02 -0.909534D+00
      2   0.789401D+00  0.297895D+00 -0.112310D+01 -0.909534D+00 -0.263495D+01
      3   0.153889D+01 -0.112310D+01 -0.661845D+00 -0.147452D+01  0.160787D+01
                21            22            23            24            25 
      1  -0.147452D+01 -0.463897D+01 -0.173645D+01 -0.270819D+00  0.133212D+02
      2   0.160787D+01 -0.173645D+01 -0.283355D+01  0.253320D+01 -0.219709D+01
      3  -0.205427D+01 -0.270819D+00  0.253320D+01  0.193431D+01  0.270851D+00
                26            27            28            29            30 
      1  -0.219709D+01  0.270851D+00 -0.333367D+02  0.112940D+01  0.101606D+01
      2   0.165644D+01  0.137372D+01  0.112940D+01 -0.206595D+01  0.206156D+00
      3   0.137372D+01  0.165389D+01  0.101606D+01  0.206156D+00 -0.290096D+01
                31            32            33            34            35 
      1   0.320258D+01 -0.512007D+01 -0.162939D+01  0.325358D+01 -0.139785D+01
      2  -0.512007D+01  0.877472D+00  0.407520D+00 -0.139785D+01 -0.211046D+00
      3  -0.162939D+01  0.407520D+00  0.166042D+00 -0.803072D+00 -0.802859D+00
                36            37            38            39            40 
      1  -0.803072D+00  0.115198D+02 -0.987072D+00 -0.880209D+00  0.497607D+01
      2  -0.802859D+00 -0.987072D+00 -0.116633D+01 -0.449984D+00 -0.183719D+01
      3   0.508794D+00 -0.880209D+00 -0.449984D+00 -0.349758D+01 -0.109012D+01
                41            42            43            44            45 
      1  -0.183719D+01 -0.109012D+01 -0.154461D+02  0.418354D+00  0.852534D+00
      2   0.249828D+01 -0.223618D+01  0.418354D+00 -0.108421D+01 -0.102020D+01
      3  -0.223618D+01 -0.125752D+01  0.852534D+00 -0.102020D+01 -0.138201D+01
                46            47            48            49            50 
      1  -0.141536D+02  0.918973D+00  0.843599D+00  0.631694D+01  0.221715D+01
      2   0.918973D+00  0.114150D+01 -0.121991D-02  0.221715D+01  0.184008D+01
      3   0.843599D+00 -0.121991D-02  0.194281D+01 -0.504498D+00 -0.297144D+01
                51            52            53            54            55 
      1  -0.504498D+00 -0.117806D+02  0.538370D+00 -0.530259D+00 -0.176483D+02
      2  -0.297144D+01  0.538370D+00 -0.166365D+01 -0.100151D+01 -0.307821D+01
      3  -0.218221D+01 -0.530259D+00 -0.100151D+01 -0.165964D+01 -0.313381D+00
                56            57            58            59            60 
      1  -0.307821D+01 -0.313381D+00 -0.839307D+01 -0.764717D+01 -0.332447D+00
      2  -0.420294D+01 -0.318353D-01 -0.764717D+01  0.210523D+00 -0.210609D+01
      3  -0.318353D-01 -0.177287D+01 -0.332447D+00 -0.210609D+01  0.197096D+01
                61            62            63            64            65 
      1  -0.177466D+01 -0.595073D+00 -0.346209D+01 -0.421568D+01  0.472732D+01
      2  -0.595073D+00 -0.277866D+01  0.332782D+01  0.472732D+01  0.352981D+01
      3  -0.346209D+01  0.332782D+01  0.485118D+01  0.244752D+01 -0.301554D+00
                66            67            68            69            70 
      1   0.244752D+01  0.151708D+02  0.572067D+01 -0.871653D-01  0.584363D+01
      2  -0.301554D+00  0.572067D+01  0.194865D+01  0.357225D+01  0.746335D+00
      3   0.111186D+01 -0.871653D-01  0.357225D+01 -0.321119D+01  0.229889D+00
                71            72            73            74            75 
      1   0.746335D+00  0.229889D+00  0.285573D+01 -0.357532D+01 -0.252609D+01
      2   0.361980D+01 -0.288986D+01 -0.357532D+01 -0.356184D+01 -0.112055D+00
      3  -0.288986D+01 -0.469568D+01 -0.252609D+01 -0.112055D+00 -0.168004D+01
                76            77            78            79            80 
      1  -0.544241D+01 -0.477661D+01 -0.994904D-01 -0.266739D+01  0.230756D+00
      2  -0.477661D+01 -0.148469D+01 -0.463655D+01  0.230756D+00 -0.317372D+01
      3  -0.994904D-01 -0.463655D+01  0.329235D+01 -0.487356D+00  0.274654D+01
                81            82            83            84            85 
      1  -0.487356D+00  0.321297D+01 -0.404013D+01 -0.136864D+01 -0.565875D+01
      2   0.274654D+01 -0.404013D+01 -0.399742D+01  0.376602D+00 -0.405958D+01
      3   0.252142D+01 -0.136864D+01  0.376602D+00 -0.108916D+01 -0.173598D+00
                86            87            88            89            90 
      1  -0.405958D+01 -0.173598D+00 -0.223106D+01 -0.942550D+00 -0.770455D+00
      2  -0.285139D+01 -0.254903D+01 -0.942550D+00 -0.344444D+01  0.210328D+01
      3  -0.254903D+01  0.343784D+01 -0.770455D+00  0.210328D+01  0.640741D+01
                91            92            93            94            95 
      1   0.836445D+01  0.173304D+01  0.215699D+01 -0.424077D+01  0.679933D+01
      2   0.173304D+01  0.217150D+01  0.431278D+00  0.679933D+01 -0.475188D+01
      3   0.215699D+01  0.431278D+00  0.169460D+01  0.168177D+01  0.726858D+00
                96            97            98            99           100 
      1   0.168177D+01  0.382594D+01  0.233198D+01  0.264692D+01  0.636054D+00
      2   0.726858D+00  0.233198D+01  0.744939D+00  0.276835D+01 -0.129933D+01
      3   0.224903D+01  0.264692D+01  0.276835D+01 -0.320537D+01 -0.160819D+01
               101           102           103           104           105 
      1  -0.129933D+01 -0.160819D+01 -0.504343D+00 -0.106777D+01  0.152786D+01
      2  -0.194182D+00  0.869860D+00 -0.106777D+01  0.408838D+01 -0.195951D+01
      3   0.869860D+00  0.487886D+00  0.152786D+01 -0.195951D+01 -0.297437D+01
               106           107           108           109           110 
      1  -0.515439D+01  0.239001D+01  0.136036D+01 -0.249562D+01  0.189020D+01
      2   0.239001D+01 -0.490697D+01 -0.368816D+01  0.189020D+01 -0.800678D+00
      3   0.136036D+01 -0.368816D+01 -0.208620D+01  0.331052D+01 -0.795685D+00
               111           112           113           114           115 
      1   0.331052D+01  0.383056D+01 -0.313116D+01 -0.196455D+01  0.801248D+01
      2  -0.795685D+00 -0.313116D+01  0.462460D+01  0.400002D+01 -0.366946D+01
      3  -0.133636D+01 -0.196455D+01  0.400002D+01  0.342313D+01 -0.350072D+01
               116           117           118           119           120 
      1  -0.366946D+01 -0.350072D+01 -0.411289D-01 -0.207465D+00 -0.140585D+01
      2   0.539093D+01  0.435694D+01 -0.207465D+00  0.186696D+01 -0.234126D+00
      3   0.435694D+01  0.883023D+01 -0.140585D+01 -0.234126D+00 -0.126842D+00
               121           122           123           124           125 
      1  -0.945747D+00  0.318266D+01 -0.676102D+00 -0.442384D+01  0.903477D+00
      2   0.318266D+01 -0.773368D+01  0.151038D+00  0.903477D+00 -0.886089D+00
      3  -0.676102D+00  0.151038D+00 -0.221376D+00 -0.104154D+01  0.149967D+01
               126           127           128           129           130 
      1  -0.104154D+01  0.338347D+01 -0.104835D+01  0.249826D+01 -0.202818D+01
      2   0.149967D+01 -0.104835D+01  0.858217D+00 -0.105328D+01  0.749950D+00
      3  -0.401843D+01  0.249826D+01 -0.105328D+01  0.217789D+01 -0.135268D+01
               131           132           133           134           135 
      1   0.749950D+00 -0.135268D+01  0.251344D+01 -0.123835D+01  0.293345D+01
      2  -0.864822D+00  0.913901D+00 -0.123835D+01  0.161661D+01 -0.212242D+01
      3   0.913901D+00 -0.204749D+01  0.293345D+01 -0.212242D+01  0.496668D+01
               136           137           138           139           140 
      1  -0.199228D+01 -0.668552D+00  0.206235D+01 -0.355707D+00 -0.181220D+00
      2  -0.668552D+00 -0.300639D+00  0.659190D+00 -0.181220D+00 -0.480663D+00
      3   0.206235D+01  0.659190D+00 -0.222084D+01  0.670843D+00  0.772052D+00
               141           142           143           144           145 
      1   0.670843D+00  0.199467D+01  0.995410D+00 -0.269863D+01 -0.357886D+01
      2   0.772052D+00  0.995410D+00  0.157844D+01 -0.239487D+01  0.929830D+00
      3  -0.220371D+01 -0.269863D+01 -0.239487D+01  0.731909D+01 -0.205200D+01
               146           147           148           149           150 
      1   0.929830D+00 -0.205200D+01  0.153587D+01 -0.609791D+00  0.116097D+01
      2  -0.606164D+00  0.622324D+00 -0.609791D+00  0.599437D+00 -0.597767D+00
      3   0.622324D+00 -0.182612D+01  0.116097D+01 -0.597767D+00  0.180468D+01
               151           152           153           154           155 
      1  -0.244610D+01  0.894824D+00 -0.269778D+01  0.198396D+01  0.622700D+00
      2   0.894824D+00 -0.106446D+01  0.141692D+01  0.622700D+00  0.226326D+00
      3  -0.269778D+01  0.141692D+01 -0.479093D+01 -0.198564D+01 -0.324501D+00
               156           157           158           159           160 
      1  -0.198564D+01  0.722350D-01  0.152021D+00 -0.538456D+00 -0.234994D+01
      2  -0.324501D+00  0.152021D+00  0.255072D+00 -0.497230D+00 -0.853357D+00
      3   0.204779D+01 -0.538456D+00 -0.497230D+00  0.188785D+01  0.285377D+01
               161           162           163           164           165 
      1  -0.853357D+00  0.285377D+01  0.197897D+01 -0.469788D+00 -0.174095D+01
      2  -0.102975D+01  0.144624D+01 -0.469788D+00  0.977771D+00  0.549110D+00
      3   0.144624D+01 -0.722784D+01 -0.174095D+01  0.549110D+00  0.145548D+01
               166           167           168           169           170 
      1   0.130643D+01  0.163536D+01  0.552371D+00 -0.521878D+01  0.870300D+00
      2   0.163536D+01 -0.123559D+01 -0.128558D+01  0.870300D+00 -0.194664D+01
      3   0.552371D+00 -0.128558D+01 -0.138731D+01  0.321636D+01 -0.270850D+01
               171           172           173           174           175 
      1   0.321636D+01  0.372498D+01 -0.190363D+01  0.110839D+01 -0.269630D+01
      2  -0.270850D+01 -0.190363D+01  0.245026D+01 -0.455464D+00  0.338562D+01
      3  -0.662979D+01  0.110839D+01 -0.455464D+00  0.711811D+00 -0.635996D+00
               176           177           178           179           180 
      1   0.338562D+01 -0.635996D+00  0.511510D+01 -0.106951D+01  0.131055D+01
      2  -0.546646D+01  0.151481D+01 -0.106951D+01  0.292228D+01 -0.171370D+01
      3   0.151481D+01 -0.114303D+01  0.131055D+01 -0.171370D+01  0.101847D+01
               181           182           183           184           185 
      1   0.140566D+02 -0.149637D+01 -0.161504D+01 -0.384321D+01  0.112440D+01
      2  -0.149637D+01  0.116881D+01  0.204989D+00  0.112440D+01 -0.103780D+01
      3  -0.161504D+01  0.204989D+00  0.139669D+01  0.158621D+00 -0.662620D+00
               186           187           188           189           190 
      1   0.158621D+00 -0.245744D+01 -0.142639D-01  0.196902D+01 -0.664493D+01
      2  -0.662620D+00 -0.142639D-01 -0.754235D+00  0.148558D+00  0.433957D+00
      3  -0.726616D-01  0.196902D+01  0.148558D+00 -0.243836D+00  0.665601D+00
               191           192           193           194           195 
      1   0.433957D+00  0.665601D+00  0.807083D+00 -0.540693D+00 -0.568235D+00
      2  -0.127258D+01 -0.811311D+00 -0.540693D+00  0.969753D+00  0.866157D+00
      3  -0.811311D+00 -0.193200D+01 -0.568235D+00  0.866157D+00  0.400291D+00
               196           197           198           199           200 
      1   0.953491D+00 -0.292079D+00 -0.735306D+00  0.424621D+01  0.319933D+01
      2  -0.292079D+00  0.630036D+00  0.113821D+00  0.319933D+01  0.302764D+01
      3  -0.735306D+00  0.113821D+00  0.107786D+01  0.224060D+01  0.134553D+01
               201           202           203           204           205 
      1   0.224060D+01  0.398027D+01  0.402026D+01  0.200117D+01  0.113147D+01
      2   0.134553D+01  0.402026D+01  0.534093D+01  0.274885D+01  0.885572D+00
      3   0.186837D+01  0.200117D+01  0.274885D+01  0.210749D+01  0.153640D+01
               206           207           208           209           210 
      1   0.885572D+00  0.153640D+01  0.133553D+01 -0.662160D+00  0.161942D+01
      2   0.132786D+01  0.118611D+01 -0.662160D+00  0.131195D+01 -0.689935D+00
      3   0.118611D+01  0.131141D+01  0.161942D+01 -0.689935D+00  0.163502D+01
               211           212           213           214           215 
      1  -0.143997D+01  0.133410D+01 -0.133856D+01  0.157697D+01 -0.683880D+00
      2   0.133410D+01 -0.327170D+01  0.270330D+01 -0.683880D+00  0.210306D+01
      3  -0.133856D+01  0.270330D+01 -0.378210D+01  0.161473D+01 -0.216148D+01
               216           217           218           219           220 
      1   0.161473D+01  0.401607D+00  0.397486D+00 -0.114466D+01 -0.525290D-01
      2  -0.216148D+01  0.397486D+00  0.596126D+00 -0.845867D-01  0.368978D+00
      3   0.411482D+01 -0.114466D+01 -0.845867D-01  0.115226D+01  0.107931D+00
               221           222           223           224           225 
      1   0.368978D+00  0.107931D+00 -0.150344D+01 -0.306796D+00  0.142525D+01
      2  -0.829270D-01 -0.647877D+00 -0.306796D+00 -0.127109D+01  0.312786D+00
      3  -0.647877D+00 -0.147299D+01  0.142525D+01  0.312786D+00 -0.907944D+01
               226           227           228           229           230 
      1   0.375967D+01  0.378956D+01 -0.111122D+00  0.352485D+01  0.452414D+01
      2   0.378956D+01  0.423864D+01 -0.270033D+00  0.452414D+01  0.762474D+01
      3  -0.111122D+00 -0.270033D+00  0.944096D+00 -0.223295D+00 -0.166672D+00
               231           232           233           234           235 
      1  -0.223295D+00  0.103651D+01  0.793898D+00  0.818629D+00 -0.670888D+01
      2  -0.166672D+00  0.793898D+00  0.162369D+01  0.667873D+00  0.635631D+00
      3   0.689399D+00  0.818629D+00  0.667873D+00 -0.214443D+00  0.646104D+00
               236           237           238           239           240 
      1   0.635631D+00  0.646104D+00  0.102837D+01 -0.102003D+01  0.171933D+00
      2  -0.220230D+01  0.382946D+00 -0.102003D+01  0.153307D+01  0.133886D+00
      3   0.382946D+00 -0.106516D+01  0.171933D+00  0.133886D+00  0.160590D+00
               241           242           243           244           245 
      1   0.893780D+00 -0.553685D-01 -0.452441D+00  0.450969D-01 -0.855780D+00
      2  -0.553685D-01  0.699475D+00  0.131311D+00 -0.855780D+00 -0.651363D+00
      3  -0.452441D+00  0.131311D+00 -0.442023D+00  0.120700D+01  0.237741D+00
               246           247           248           249           250 
      1   0.120700D+01 -0.127838D+01 -0.115635D+01  0.401377D+00  0.263523D+01
      2   0.237741D+00 -0.115635D+01 -0.871489D+00  0.112178D+01  0.417114D+00
      3  -0.115110D+01  0.401377D+00  0.112178D+01 -0.158800D+01 -0.187008D+01
               251           252           253           254           255 
      1   0.417114D+00 -0.187008D+01  0.822814D+01 -0.126630D+01 -0.223689D+01
      2   0.150598D+01 -0.137321D+01 -0.126630D+01 -0.341356D+01 -0.116300D+01
      3  -0.137321D+01  0.528756D+01 -0.223689D+01 -0.116300D+01 -0.173119D+01
               256           257           258           259           260 
      1  -0.505447D+01 -0.289648D+01 -0.149058D+01 -0.773636D+01 -0.179077D+01
      2  -0.289648D+01  0.560878D+01 -0.323209D+00 -0.179077D+01 -0.193286D+01
      3  -0.149058D+01 -0.323209D+00 -0.247128D+01 -0.227391D+01 -0.246651D+01
               261           262           263           264           265 
      1  -0.227391D+01 -0.124347D+01  0.161712D+01 -0.704130D+00  0.274342D+01
      2  -0.246651D+01  0.161712D+01 -0.179406D+01  0.495544D+00 -0.394947D+01
      3   0.273274D+01 -0.704130D+00  0.495544D+00 -0.489587D+00  0.105831D+01
               266           267           268           269           270 
      1  -0.394947D+01  0.105831D+01 -0.917173D-01 -0.231718D+00 -0.396814D+00
      2   0.986706D+01 -0.215474D+01 -0.231718D+00  0.387316D+00  0.726980D+00
      3  -0.215474D+01  0.177589D+01 -0.396814D+00  0.726980D+00 -0.836098D+00
               271           272           273           274           275 
      1  -0.434289D+00  0.417785D+00 -0.439573D+00  0.140993D+01  0.235202D+00
      2   0.417785D+00  0.481927D+00  0.216290D+00  0.235202D+00  0.213330D+00
      3  -0.439573D+00  0.216290D+00  0.406341D+00  0.365933D+00 -0.641166D+00
               276           277           278           279           280 
      1   0.365933D+00 -0.183490D+01 -0.227237D+00 -0.702181D+00 -0.160484D+02
      2  -0.641166D+00 -0.227237D+00 -0.119332D+01  0.340805D+00 -0.164545D+01
      3   0.129217D+01 -0.702181D+00  0.340805D+00 -0.607777D+01 -0.236872D+00
               281           282           283           284           285 
      1  -0.164545D+01 -0.236872D+00  0.125923D+01 -0.115049D+01  0.170322D+00
      2  -0.126084D+01 -0.166593D+00 -0.115049D+01 -0.551973D+00  0.942746D-01
      3  -0.166593D+00 -0.999621D+00  0.170322D+00  0.942746D-01  0.354208D+00
               286           287           288           289           290 
      1   0.240188D+01  0.467831D+00 -0.106889D+01 -0.116043D+00 -0.744512D+00
      2   0.467831D+00  0.540613D+00  0.986244D-01 -0.744512D+00  0.191821D+01
      3  -0.106889D+01  0.986244D-01  0.653268D-01  0.245304D+00  0.371774D+00
               291           292           293           294           295 
      1   0.245304D+00 -0.165119D+01 -0.659450D+00 -0.149662D+00  0.986992D+00
      2   0.371774D+00 -0.659450D+00 -0.963138D+01 -0.102761D+01  0.296692D+00
      3   0.421629D+00 -0.149662D+00 -0.102761D+01 -0.105610D+01  0.525647D-01
               296           297 
      1   0.296692D+00  0.525647D-01
      2   0.618863D+00 -0.785380D+00
      3  -0.785380D+00 -0.382032D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.217005D+01  0.156127D+01  0.394510D+01  0.980205D+01  0.170274D+01
      2  -0.239899D+01 -0.215178D+01  0.381733D+01 -0.414601D+01 -0.179239D+01
      3   0.194124D+02 -0.169174D+01 -0.182009D+01  0.146669D+02  0.183620D+01
                 6             7             8             9            10 
      1  -0.233475D+01  0.232551D+01  0.395030D+01  0.164685D+00 -0.313006D+01
      2   0.634127D+00 -0.293134D+01  0.819482D+00 -0.446128D+00 -0.488718D+00
      3  -0.550351D+01 -0.169073D+02 -0.276962D+01 -0.523166D+00 -0.452987D+02
                11            12            13            14            15 
      1  -0.807911D+00  0.170883D+01  0.235413D+01  0.434249D+01 -0.944757D+01
      2   0.894851D+00 -0.257860D+01  0.563487D+01  0.163787D+00 -0.166159D+00
      3  -0.164069D+01  0.157335D+01  0.115569D+02 -0.252818D+01 -0.541703D+00
                16            17            18            19            20 
      1  -0.380138D+01 -0.287243D+01 -0.416538D+01 -0.270782D+01 -0.877313D+00
      2  -0.263163D+02 -0.180773D+01 -0.375691D+01  0.796236D+00 -0.281005D+01
      3  -0.182186D+00 -0.315276D+00 -0.184923D+01 -0.204800D+02  0.135995D+00
                21            22            23            24            25 
      1  -0.215926D+01 -0.499619D+01  0.169790D+01  0.808409D+00 -0.979931D+00
      2   0.782790D+01 -0.347106D+01  0.183464D+01 -0.170697D+01 -0.644331D+01
      3   0.316735D+01  0.162652D+02 -0.830833D+00  0.289291D+01 -0.151017D+02
                26            27            28            29            30 
      1   0.357488D+01  0.227635D+01  0.255337D+00  0.191705D+01 -0.288255D+01
      2  -0.110305D+01  0.120926D+01  0.473616D+01  0.983239D+00 -0.381343D+01
      3   0.507998D+01  0.177719D+01  0.423272D+02 -0.219461D+01 -0.278396D+01
                31            32            33            34            35 
      1  -0.495084D+00  0.420291D+01 -0.966105D+01 -0.612630D+01 -0.156132D+01
      2   0.494065D+01 -0.383970D+00  0.215661D+01 -0.297541D+02  0.535546D+01
      3   0.847202D+01  0.572710D+01  0.815687D+00 -0.853595D+01 -0.135255D+01
                36            37            38            39            40 
      1  -0.279693D+01 -0.462864D-01  0.154250D+01 -0.199566D+01  0.559448D+01
      2   0.182333D+01 -0.765393D+01 -0.113156D+01  0.420231D+01 -0.424742D+01
      3   0.274785D+01 -0.178830D+02 -0.232568D+00  0.324377D+01  0.574071D+01
                41            42            43            44            45 
      1  -0.242571D+01 -0.324510D+01  0.474315D+01  0.178206D+01 -0.175745D+01
      2  -0.237054D+01  0.126625D+01  0.998981D+00 -0.241515D+00 -0.234178D+01
      3   0.179014D+01 -0.234443D+01  0.243173D+02 -0.258799D+01 -0.506414D+01
                46            47            48            49            50 
      1   0.182840D+01 -0.237290D+01  0.135515D+01 -0.807951D+01 -0.243114D+01
      2   0.644450D+01 -0.262625D+01  0.939807D+01 -0.351114D+01  0.239471D+01
      3   0.251917D+02 -0.292967D+01  0.296674D+01  0.629450D+01 -0.161288D+01
                51            52            53            54            55 
      1  -0.231048D+01 -0.121824D+01  0.263077D+01 -0.990774D-01  0.181168D+01
      2  -0.354267D+01 -0.362008D+01 -0.127994D+01  0.257200D+01 -0.724673D+01
      3   0.268618D+01  0.183528D+02  0.475775D+00  0.280169D+01  0.305355D+02
                56            57            58            59            60 
      1   0.164244D+01 -0.161446D+00  0.400633D+01 -0.324910D+01  0.307321D+01
      2  -0.773526D+00 -0.395707D+01 -0.407030D+01 -0.126210D+02  0.919544D+01
      3   0.148697D+02 -0.107196D+00  0.451802D+02  0.109179D+02  0.869359D+01
                61            62            63            64            65 
      1  -0.363275D+00  0.841939D+01  0.430633D+01 -0.186649D+01  0.519570D-01
      2  -0.216538D+02  0.112625D+02  0.164890D+02  0.122811D+02 -0.396987D+00
      3   0.390445D+01  0.114037D+02 -0.645336D+01 -0.317831D+02 -0.180419D+02
                66            67            68            69            70 
      1  -0.102478D+01 -0.322748D+01 -0.249494D+01 -0.210463D+01  0.281841D+01
      2   0.776086D+01  0.487793D+01  0.169449D+02 -0.147782D+02 -0.872979D+00
      3   0.193420D+01 -0.328594D+02 -0.997459D+01 -0.147064D+02 -0.670803D+01
                71            72            73            74            75 
      1   0.560103D+01  0.228219D+01 -0.193211D+01 -0.665932D+01  0.105523D+01
      2  -0.123396D+02 -0.193650D+02 -0.190590D+02  0.541270D+01  0.202754D+01
      3  -0.157112D+02  0.992198D+01  0.191946D+02  0.100657D+02 -0.264110D+01
                76            77            78            79            80 
      1  -0.977104D+01  0.124955D+01 -0.152061D+02  0.896828D+00 -0.761602D+01
      2   0.687455D+01 -0.113067D+02  0.139302D+02  0.272033D+01  0.114047D+02
      3   0.188461D+02  0.286616D+01  0.177995D+02 -0.311002D+01  0.124620D+02
                81            82            83            84            85 
      1   0.358080D+01  0.602201D+01  0.425110D+01  0.190026D+01  0.614803D+01
      2   0.126008D+02  0.974836D+00 -0.370172D+01 -0.330642D+01 -0.710538D+01
      3  -0.112401D+02  0.266227D+02  0.509716D+01 -0.240976D+01  0.882047D+01
                86            87            88            89            90 
      1   0.973359D+01 -0.568999D+01  0.360094D+01  0.254434D+01 -0.169719D+02
      2  -0.146151D+02  0.134274D+02 -0.616733D+01  0.808476D+01  0.217513D+02
      3   0.239820D+01  0.105391D+02  0.122161D+01  0.124883D+02 -0.847661D+01
                91            92            93            94            95 
      1   0.141572D+01 -0.115255D+01  0.165803D+01  0.111773D+01 -0.229037D+01
      2  -0.133247D+02  0.494943D+00 -0.211732D+01 -0.291249D+00 -0.539943D+01
      3  -0.864891D+01  0.171306D+01 -0.857855D+00  0.392967D+02 -0.216594D+02
                96            97            98            99           100 
      1  -0.192905D+01  0.991378D+00  0.575418D+01  0.798892D-01  0.179356D+01
      2  -0.101686D+02 -0.181141D+02 -0.970261D+01  0.112902D+02  0.541630D+01
      3  -0.110703D+01  0.213137D+01 -0.917756D+00  0.664734D+01  0.168053D+02
               101           102           103           104           105 
      1   0.146363D+01 -0.386837D+01  0.403452D+00 -0.116477D+01  0.260621D+01
      2  -0.408180D+01  0.808115D+01 -0.207869D+01  0.613769D+01  0.179338D+02
      3  -0.175529D+02  0.200581D+01 -0.750014D+01  0.479003D+01 -0.465399D+01
               106           107           108           109           110 
      1  -0.324144D+01 -0.252688D+01  0.463716D+01 -0.383470D+01 -0.206719D+01
      2  -0.195577D+01  0.140685D+02  0.857907D+01 -0.804074D+01  0.207878D+01
      3   0.144207D+02 -0.165018D+02 -0.109745D+02 -0.111928D+01  0.183396D+00
               111           112           113           114           115 
      1   0.215477D+01 -0.213833D+01  0.439561D+01 -0.714657D+01  0.490217D+00
      2   0.404649D+01 -0.188835D+01 -0.106432D+02 -0.141917D+02  0.210969D+01
      3  -0.105953D+00 -0.637258D+01  0.192212D+02  0.127114D+02 -0.160295D+02
               116           117           118           119           120 
      1   0.725743D+01 -0.103029D+02  0.305083D+01  0.132595D+00  0.368377D+00
      2  -0.127775D+02 -0.302892D+02  0.401497D+01  0.698179D+00  0.194672D+01
      3   0.198136D+02  0.132613D+02 -0.419008D+01  0.510143D+01 -0.289774D+01
               121           122           123           124           125 
      1   0.312872D+00  0.327188D+01 -0.105534D+01 -0.127605D+01  0.679396D+01
      2   0.296037D+01  0.114033D+01 -0.642782D+00 -0.750189D+00 -0.437946D+01
      3   0.898608D+01 -0.222247D+02 -0.449478D+00  0.305789D+01 -0.411597D+01
               126           127           128           129           130 
      1   0.752410D+01  0.312653D+01  0.113974D+01  0.280898D+01 -0.202718D+01
      2   0.148332D+02 -0.471933D+01  0.167257D-01 -0.225891D+00  0.155347D+01
      3   0.548907D+01 -0.538002D+01 -0.999879D+00 -0.264083D+01  0.430283D+01
               131           132           133           134           135 
      1   0.254054D+00 -0.372456D+01  0.314737D+01  0.110633D+01  0.515262D+01
      2   0.187183D+00 -0.114914D+01 -0.256265D+01 -0.461993D+00  0.208714D+01
      3   0.510082D+00  0.776534D+00 -0.324374D+01 -0.142480D+01 -0.198825D+01
               136           137           138           139           140 
      1   0.213133D+01 -0.817884D+00 -0.252008D+01  0.994954D+00  0.232818D+00
      2   0.436799D+01  0.462546D+00 -0.105883D+01  0.473706D+00 -0.379940D-01
      3   0.285786D+01  0.769749D-01 -0.220096D+01  0.156744D+01 -0.157603D+00
               141           142           143           144           145 
      1  -0.366039D+01 -0.207972D+01  0.204914D+01  0.636849D+01 -0.236541D+01
      2   0.639759D+00 -0.450334D+01 -0.499536D+00 -0.571047D+00 -0.823048D+01
      3  -0.719875D+00 -0.263652D+01  0.862724D+00  0.233458D+01  0.339786D+00
               146           147           148           149           150 
      1   0.294498D+01 -0.986962D+00  0.133588D+01 -0.145821D+01 -0.538401D+00
      2   0.146696D+01 -0.158430D+01  0.209065D+01 -0.611949D+00  0.321124D+00
      3  -0.137898D+01  0.785035D+00  0.590375D+00  0.131456D+01 -0.234875D+00
               151           152           153           154           155 
      1  -0.214158D+01  0.416336D+01 -0.317050D+01 -0.253668D+01 -0.209573D+01
      2  -0.486595D+01  0.610607D+00  0.228977D+00  0.482500D+01  0.120725D+01
      3   0.646053D+00 -0.235562D+01  0.166535D+01 -0.620332D+00 -0.106611D+01
               156           157           158           159           160 
      1   0.135437D+01 -0.460270D+00 -0.118004D+01 -0.154272D+00  0.356752D+01
      2  -0.117515D+01  0.237279D+00  0.526574D-01  0.331271D+00 -0.514381D+01
      3   0.103511D+01  0.112858D+01 -0.420753D+00  0.326213D+00  0.148734D+01
               161           162           163           164           165 
      1   0.538590D+01 -0.577306D+01 -0.122719D+01 -0.514336D+00  0.143299D+01
      2  -0.569859D+00 -0.204934D+01 -0.615805D+01  0.104073D+01  0.592439D+01
      3   0.226262D+01 -0.198479D+01 -0.143670D+01 -0.428027D+01  0.552263D+00
               166           167           168           169           170 
      1  -0.154833D+00 -0.118996D+00 -0.229107D+01  0.270728D+01  0.887974D+00
      2   0.208363D+01 -0.331120D+01 -0.493522D+01  0.597482D+01 -0.954131D+01
      3  -0.571219D+01  0.222656D+01  0.300025D+01  0.383219D+01  0.588086D+01
               171           172           173           174           175 
      1  -0.712914D+01  0.163822D+01 -0.136276D+01  0.183357D+01 -0.245250D+01
      2  -0.224418D+02  0.690001D+01 -0.270687D+01  0.503738D+01 -0.331218D+01
      3   0.446096D+01  0.221862D+01 -0.758518D+01  0.334119D+00 -0.603038D+01
               176           177           178           179           180 
      1   0.390038D+01 -0.479319D+01  0.179434D+01 -0.219684D+01  0.305712D+01
      2   0.774227D+01 -0.564654D+01  0.465839D+01 -0.709212D+01  0.443750D+01
      3   0.148715D+02 -0.410861D+01 -0.327965D+01 -0.940987D+01  0.403028D+01
               181           182           183           184           185 
      1   0.265148D+00 -0.568242D+00 -0.233940D+00  0.166832D+00  0.473233D+00
      2  -0.350623D+01  0.597401D+00  0.936711D+01 -0.444001D+00 -0.312019D+01
      3   0.531742D+01 -0.895482D+01 -0.852186D+00 -0.106724D+01  0.475179D+01
               186           187           188           189           190 
      1  -0.109882D+01 -0.492806D+00  0.100288D+01 -0.194215D+00 -0.183278D+01
      2   0.198590D+00  0.599528D+01  0.781049D+00 -0.366318D+00  0.206265D+02
      3   0.327398D+01  0.838631D+00  0.408121D+01 -0.109702D+01 -0.104775D+02
               191           192           193           194           195 
      1  -0.263303D+01  0.129882D+01 -0.122522D+01  0.351090D+00  0.389819D-01
      2  -0.347401D+01 -0.763789D+01 -0.288383D+01  0.502153D+01  0.193955D+01
      3   0.331884D+01  0.403022D+01  0.407979D+01 -0.325213D+01 -0.352467D+01
               196           197           198           199           200 
      1   0.113537D+01  0.210581D+01 -0.371515D+00  0.354580D+01  0.529018D+01
      2  -0.809602D+01  0.841975D+00  0.497367D+01  0.244740D+01  0.419679D+00
      3   0.216514D+01 -0.200375D+01 -0.138025D+01 -0.942421D+01 -0.118263D+02
               201           202           203           204           205 
      1  -0.523927D+00  0.598899D+01  0.783884D+01  0.284835D+00  0.104058D+01
      2   0.616892D+01  0.879515D-02  0.511547D+01  0.704822D+01  0.240708D+01
      3  -0.383744D+01 -0.107973D+02 -0.200168D+02 -0.977898D+01 -0.155027D+01
               206           207           208           209           210 
      1   0.295125D+01  0.608074D+00 -0.256940D+01  0.335738D+01 -0.210843D+01
      2   0.281197D+01  0.333364D+01  0.561230D+01 -0.149181D+01  0.507897D+01
      3  -0.517313D+01 -0.375346D+01  0.241304D+01 -0.606458D+01  0.334573D+01
               211           212           213           214           215 
      1   0.297338D+01 -0.997546D+01  0.579550D+01 -0.239433D+01  0.824595D+01
      2  -0.143109D+01  0.927011D+01 -0.143414D+02  0.132963D+01 -0.795744D+01
      3  -0.339365D+01  0.142592D+02 -0.105547D+02  0.260345D+01 -0.884557D+01
               216           217           218           219           220 
      1  -0.627276D+01  0.159097D+01 -0.642996D+00 -0.173953D+01 -0.288896D+00
      2   0.142535D+02 -0.477870D+01 -0.288299D+00  0.355094D+01 -0.487928D+00
      3   0.881539D+01 -0.244480D+01 -0.249597D+01 -0.988575D+00 -0.340903D+00
               221           222           223           224           225 
      1   0.190798D+01  0.246446D+01 -0.173633D+01  0.509608D+01  0.165716D+02
      2  -0.197759D+01 -0.575785D+01 -0.370596D+00  0.422873D+00 -0.319830D+02
      3   0.133885D+01  0.191941D+01 -0.117314D+01  0.459928D+01 -0.113611D+01
               226           227           228           229           230 
      1  -0.432161D+01 -0.473078D+01 -0.315214D+01 -0.582772D+01 -0.889068D+01
      2   0.346581D+01  0.260556D+01  0.535062D+01  0.358443D+01  0.390312D+01
      3  -0.777836D+01 -0.117778D+02  0.131727D+01 -0.695682D+01 -0.226180D+02
               231           232           233           234           235 
      1  -0.394571D+01 -0.236371D+01 -0.177234D+01 -0.766059D+00 -0.685262D+00
      2   0.362020D+01  0.348290D+01  0.284596D+01  0.578504D-01 -0.839609D+01
      3   0.480407D+00 -0.105350D+01 -0.554110D+01 -0.130479D+01 -0.219143D+02
               236           237           238           239           240 
      1   0.197925D+01  0.257723D+01  0.102050D+01 -0.155443D+01 -0.100467D+01
      2   0.214558D+01 -0.109494D+01  0.202210D+01 -0.103680D+01 -0.389947D+00
      3   0.702651D+01 -0.156429D+00  0.697288D+01 -0.656366D+01 -0.544440D+00
               241           242           243           244           245 
      1   0.171177D+01  0.591667D+00  0.244112D+00 -0.425368D-01 -0.445206D+00
      2  -0.300253D+01 -0.190956D+00 -0.210598D+01 -0.499874D+01 -0.493705D+00
      3   0.133207D+01 -0.263921D+01 -0.151351D+01 -0.314253D+01 -0.218501D+01
               246           247           248           249           250 
      1  -0.628812D+00 -0.147599D+00  0.304648D+00 -0.172599D+01 -0.517405D+00
      2   0.395967D+01 -0.716461D-01 -0.276515D+01  0.538397D+01  0.108044D+01
      3   0.139072D+00 -0.823277D+00 -0.191517D+01  0.288054D+01 -0.834384D+00
               251           252           253           254           255 
      1   0.230576D+01  0.246404D+01 -0.179686D+01  0.671692D+00 -0.239258D+01
      2   0.433826D+01 -0.165119D+02  0.202532D+02  0.489684D+01  0.876302D+01
      3   0.437853D+01 -0.315121D+01 -0.175619D+02 -0.124852D+02 -0.719551D+00
               256           257           258           259           260 
      1  -0.156992D+01 -0.624044D+01 -0.583175D+01 -0.115342D+01 -0.106667D+01
      2   0.452257D+01 -0.321298D+00  0.853828D+01  0.629583D+01  0.949349D+01
      3  -0.283160D+01  0.258242D+02  0.147924D+01  0.195589D+01 -0.232520D+01
               261           262           263           264           265 
      1   0.796907D+01  0.153865D+00  0.374211D+00  0.995740D+00  0.396439D+00
      2  -0.156350D+02  0.153603D+01 -0.101134D+01  0.162281D+01 -0.225088D+01
      3  -0.656885D+01  0.322765D+01 -0.394721D+01  0.146581D+01 -0.828806D+01
               266           267           268           269           270 
      1  -0.315444D+01 -0.398763D+01 -0.454714D+00  0.646210D+00 -0.411563D+00
      2   0.600370D+01 -0.625163D+01  0.579541D+00 -0.179752D+01  0.222355D+01
      3   0.311627D+02 -0.673344D+01 -0.576879D+00  0.149327D+01  0.220282D+01
               271           272           273           274           275 
      1  -0.177074D+01 -0.735878D+00  0.422499D+00 -0.659277D-01 -0.243857D+01
      2   0.449690D+01  0.198679D+00 -0.229695D+01  0.129184D+01  0.323724D+01
      3   0.225430D+01  0.908194D+00  0.934831D+00  0.478286D+00  0.769684D+00
               276           277           278           279           280 
      1   0.201227D+01 -0.190696D+00  0.466384D+01 -0.103616D+02  0.824675D+00
      2  -0.552911D+01 -0.246240D+01 -0.242748D+01  0.243840D+02 -0.950691D+01
      3  -0.272242D+01  0.118215D+01 -0.428271D+01  0.287906D+01  0.160611D+02
               281           282           283           284           285 
      1   0.718547D+00 -0.184435D+01  0.907956D+00  0.510207D+00  0.681737D-01
      2  -0.144597D+00  0.792163D+01 -0.670377D+00 -0.104730D+01 -0.124111D+01
      3  -0.637984D+01 -0.748179D+00 -0.492309D+01 -0.549646D+00  0.325462D+00
               286           287           288           289           290 
      1  -0.187545D+01  0.862859D+00 -0.124587D+00  0.104183D+01 -0.554510D+00
      2   0.434563D+01 -0.686268D+00 -0.414902D+00 -0.999829D+00 -0.184783D+01
      3  -0.164279D+01  0.163128D+01  0.203977D+01 -0.433675D+01  0.686014D+01
               291           292           293           294           295 
      1   0.135288D+01 -0.284441D+00  0.620885D+01 -0.382688D+01  0.577392D+00
      2  -0.144513D+01 -0.795295D+00  0.421242D+01  0.387409D+01 -0.151056D+01
      3   0.444892D+00  0.376931D+01 -0.331157D+02 -0.267889D+01 -0.883487D+00
               296           297 
      1  -0.406839D+00 -0.125712D+00
      2   0.257814D+01  0.145736D+01
      3   0.135991D+01 -0.261535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.776331D+01  0.108230D+02 -0.223639D+02 -0.216420D+01 -0.148205D+02
      2   0.340003D+01 -0.100027D+02  0.756334D+01 -0.627883D+01  0.236815D+02
      3   0.436328D+01 -0.820276D+00  0.148006D+02  0.844303D+01 -0.886103D+01
      4   0.107963D+02 -0.413181D+00  0.706457D+01  0.877779D+01 -0.630814D+01
      5  -0.103772D+02  0.622734D+01 -0.138022D+01  0.110595D+02  0.282263D+01
      6   0.522853D+01  0.549407D+01 -0.502032D+01 -0.133150D+01 -0.700122D+01
                 6             7             8             9            10 
      1   0.727411D+01  0.402956D+02 -0.133958D+01  0.915275D+01  0.605381D+02
      2  -0.129937D+02 -0.124795D+02 -0.245573D+01 -0.505828D+01 -0.296843D+02
      3   0.571957D+01 -0.278161D+02  0.379530D+01 -0.409447D+01 -0.308538D+02
      4   0.175725D+01 -0.350558D+01  0.182804D+01  0.662964D+01 -0.106291D+02
      5   0.671380D+01  0.414284D+01  0.692573D+01 -0.519184D+01 -0.952349D+01
      6   0.431590D+01  0.113745D+02 -0.262150D+01  0.677023D+01  0.177722D+01
                11            12            13            14            15 
      1   0.927611D+01 -0.191508D+01  0.152442D+02 -0.206752D+01  0.393452D+01
      2  -0.859485D+01  0.421349D+01 -0.154165D+02  0.729134D+01 -0.707901D+00
      3  -0.681262D+00 -0.229841D+01  0.172374D+00 -0.522382D+01 -0.322662D+01
      4   0.119016D+01 -0.395928D+01  0.165908D+02 -0.766343D+01 -0.120446D+01
      5  -0.479967D+01  0.105302D+02  0.111678D+02 -0.644341D-02 -0.388971D+01
      6   0.743646D+00 -0.776578D+01 -0.425963D+01  0.374582D+01  0.905686D+01
                16            17            18            19            20 
      1  -0.972855D+01  0.424599D+01 -0.173359D+02  0.671337D+01 -0.124794D+02
      2  -0.252630D-01  0.532122D+01  0.115263D+01  0.154461D+00  0.131574D+02
      3   0.975381D+01 -0.956721D+01  0.161833D+02 -0.686783D+01 -0.678046D+00
      4   0.133021D+02 -0.102097D+01 -0.265934D+01 -0.846271D+01 -0.785122D+00
      5  -0.135787D+02 -0.384709D+01 -0.393146D+01  0.109474D+02  0.148403D+01
      6  -0.648635D+01  0.109943D+01 -0.347758D+01 -0.267739D+01 -0.632504D+01
                21            22            23            24            25 
      1   0.199814D+02  0.539955D+01 -0.117433D+02 -0.422956D+01 -0.208902D+02
      2  -0.123902D+02  0.354673D+01  0.182976D+02 -0.112322D+02  0.115034D+01
      3  -0.759121D+01 -0.894628D+01 -0.655432D+01  0.154618D+02  0.197399D+02
      4   0.235300D+01  0.161013D+02  0.668801D+01 -0.204145D+01 -0.204752D+01
      5  -0.115621D+02  0.504852D+00 -0.120607D+01 -0.131885D+01  0.821055D+01
      6   0.635751D+01  0.123621D+00 -0.786499D+01  0.580785D+01 -0.116604D+02
                26            27            28            29            30 
      1  -0.260373D+01  0.730700D+01  0.244661D+02 -0.556730D+01  0.354221D+01
      2  -0.444072D+01 -0.575527D+00 -0.572670D+01  0.829571D+01  0.378901D+00
      3   0.704444D+01 -0.673147D+01 -0.187394D+02 -0.272841D+01 -0.392111D+01
      4  -0.350293D+01 -0.646340D+01  0.186924D+02  0.333221D+01 -0.182501D+01
      5  -0.648450D+01  0.777439D+01  0.526307D+01 -0.145077D+01  0.807916D+01
      6   0.186961D+01  0.855838D+01  0.500943D+01 -0.117250D+01  0.609840D+01
                31            32            33            34            35 
      1  -0.363475D+01 -0.138385D+01  0.669314D+01 -0.605796D+01  0.809886D+01
      2   0.820751D+01  0.527363D+01 -0.221478D+01  0.117195D+01  0.325446D+01
      3  -0.457276D+01 -0.388978D+01 -0.447836D+01  0.488601D+01 -0.113533D+02
      4   0.145211D+02  0.510425D+00  0.163287D+01  0.983829D+01  0.561329D+01
      5   0.119084D+02  0.255048D+00  0.148008D+01 -0.158993D+02  0.357649D+01
      6  -0.180607D+01  0.333024D+01  0.636577D+01 -0.440026D+00  0.558004D-01
                36            37            38            39            40 
      1  -0.148653D+02 -0.281625D+01  0.347582D+01 -0.238653D+02 -0.111614D+02
      2   0.229204D+01 -0.178807D+01 -0.154247D+01  0.615199D+01 -0.165178D+01
      3   0.125733D+02  0.460432D+01 -0.193335D+01  0.177133D+02  0.128131D+02
      4   0.204758D+01  0.328466D+01 -0.143996D+01  0.355711D+01  0.406416D+01
      5   0.668566D+00 -0.158391D+02  0.303414D+01 -0.281283D+01  0.947422D+00
      6  -0.713687D+01  0.257611D+01  0.589399D+01  0.764232D+01  0.196777D+01
                41            42            43            44            45 
      1  -0.506206D+01 -0.567487D+01  0.238723D+02 -0.848251D+01  0.564682D+01
      2   0.547844D+01  0.377088D+00 -0.164618D+00  0.134224D+01 -0.718384D+00
      3  -0.416380D+00  0.529779D+01 -0.237077D+02  0.714028D+01 -0.492843D+01
      4  -0.137723D+01  0.315063D+01  0.388465D+01  0.476762D+01  0.623748D+01
      5   0.125544D+01  0.744770D+01  0.107892D+02  0.550718D+01 -0.555005D+01
      6   0.301355D+01  0.826500D+01  0.112120D+02  0.292443D+01  0.106619D+02
                46            47            48            49            50 
      1  -0.973047D+00 -0.713781D+01  0.193004D+02  0.151651D+02 -0.176453D+01
      2   0.819421D+01  0.290456D+01 -0.711614D+01 -0.450503D+01  0.245832D+01
      3  -0.722116D+01  0.423326D+01 -0.121842D+02 -0.106601D+02 -0.693794D+00
      4  -0.146351D+01  0.447495D+01 -0.202042D+01  0.101642D+02  0.537155D+01
      5   0.184483D+02 -0.462360D-01 -0.828438D+01 -0.964489D+01 -0.397388D+01
      6   0.930932D+00 -0.412673D+01 -0.874545D+00 -0.182290D+01  0.451475D+01
                51            52            53            54            55 
      1  -0.180688D+02 -0.258187D+02 -0.987754D+01  0.369381D+01 -0.363427D+02
      2   0.320593D+01  0.456153D+01  0.241979D+01  0.530775D+01  0.164660D+02
      3   0.148629D+02  0.212572D+02  0.745775D+01 -0.900156D+01  0.198767D+02
      4  -0.434233D+01  0.405625D+01 -0.261520D+01 -0.462316D+01 -0.625392D+01
      5  -0.239180D+01  0.906439D+01 -0.361277D+01  0.639745D+01 -0.416835D+01
      6   0.134424D+02 -0.517115D+01  0.701349D+01  0.136746D+02  0.577233D+00
                56            57            58            59            60 
      1  -0.933518D+01 -0.478871D+01 -0.404044D+02 -0.264924D+02  0.195753D+01
      2   0.611536D+01 -0.688265D-02  0.275897D+02  0.687155D+01  0.616216D+01
      3   0.321982D+01  0.479560D+01  0.128148D+02  0.196209D+02 -0.811969D+01
      4  -0.317801D+02  0.456233D+00 -0.511274D+02  0.125580D+02 -0.164809D+02
      5   0.119723D+00 -0.156422D+02 -0.509191D+00 -0.162337D+02  0.161893D+02
      6   0.135912D+00  0.132730D+01 -0.100416D+01  0.415518D+01 -0.623340D+01
                61            62            63            64            65 
      1  -0.159878D+02  0.118504D+01 -0.372692D+01 -0.964346D+02  0.310810D+02
      2  -0.279926D+01  0.711104D+01  0.725233D+01  0.525472D+02 -0.137223D+02
      3   0.187870D+02 -0.829608D+01 -0.352541D+01  0.438874D+02 -0.173587D+02
      4  -0.626114D+00 -0.214522D+02  0.303621D+02  0.308422D+02  0.288414D+02
      5  -0.268028D+02  0.269039D+02  0.381778D+02  0.251119D+02 -0.257512D+01
      6   0.135357D+02 -0.573625D+01 -0.112118D+02  0.128446D+01 -0.320042D+01
                66            67            68            69            70 
      1   0.248049D+02  0.693132D+02  0.264852D+02 -0.856320D+01  0.364312D+02
      2  -0.142294D+02 -0.315617D+02 -0.122757D+02  0.925700D+01 -0.142627D+02
      3  -0.105754D+02 -0.377515D+02 -0.142095D+02 -0.693802D+00 -0.221685D+02
      4  -0.144596D+01  0.342558D+02  0.110567D+02  0.261019D+02  0.276602D+01
      5   0.108027D+02 -0.193992D+01  0.276572D+02 -0.264274D+02 -0.241853D-01
      6   0.237759D+01  0.255415D+01  0.759702D+01 -0.547294D+01 -0.367032D+01
                71            72            73            74            75 
      1  -0.449712D+01  0.429810D+01  0.378863D+02 -0.242885D+02 -0.200337D+02
      2   0.932603D+01 -0.209418D+01 -0.203434D+02  0.521374D+01  0.113472D+02
      3  -0.482891D+01 -0.220392D+01 -0.175429D+02  0.190747D+02  0.868650D+01
      4   0.240048D+02 -0.207279D+02 -0.229821D+02 -0.341148D+02 -0.618393D+01
      5  -0.214254D+02 -0.363502D+02 -0.116240D+02 -0.839877D+01 -0.202909D+02
      6  -0.662471D+01 -0.605811D+01 -0.157204D+02 -0.934821D+01 -0.103660D+01
                76            77            78            79            80 
      1  -0.315349D+02 -0.287726D+02 -0.122254D+01 -0.202907D+02  0.134422D+01
      2   0.642127D+01  0.185225D+02 -0.135710D+02  0.104056D+02 -0.131075D+02
      3   0.251136D+02  0.102502D+02  0.147936D+02  0.988510D+01  0.117633D+02
      4  -0.439731D+02 -0.154129D+02 -0.398103D+02 -0.167497D+01 -0.266098D+02
      5  -0.923592D+01 -0.469503D+02  0.263511D+02 -0.115547D+02  0.224089D+02
      6  -0.160036D+02 -0.742390D+01 -0.973689D+01  0.187991D+01 -0.842924D+01
                81            82            83            84            85 
      1  -0.118617D+02  0.378818D+02 -0.225042D+02 -0.120252D+02 -0.289911D+02
      2   0.147579D+01 -0.370843D+02 -0.203137D+00  0.598126D+01 -0.625502D+00
      3   0.103859D+02 -0.797521D+00  0.227074D+02  0.604392D+01  0.296166D+02
      4   0.196195D+02 -0.188963D+02 -0.414832D+02  0.450681D-01 -0.415334D+02
      5   0.129784D+02 -0.150475D+02  0.645370D+01 -0.658339D+01  0.364635D+01
      6   0.144342D+02  0.141441D+01  0.477597D+01 -0.336878D+01  0.315263D+01
                86            87            88            89            90 
      1  -0.276003D+02  0.909464D+01 -0.145835D+02  0.309778D+01 -0.978147D-01
      2  -0.535494D+00 -0.634880D+01  0.936527D+00 -0.726605D+01  0.247405D+02
      3   0.281358D+02 -0.274584D+01  0.136470D+02  0.416827D+01 -0.246427D+02
      4  -0.341287D+02 -0.158308D+02 -0.107084D+02 -0.241916D+02  0.118288D+02
      5  -0.136195D+02  0.257430D+02 -0.414766D+01  0.153488D+02  0.519721D+02
      6  -0.653061D+01  0.120526D+02 -0.138260D+01  0.110420D+02  0.107137D+02
                91            92            93            94            95 
      1  -0.291440D+00 -0.227622D+01 -0.729271D+01 -0.821651D+01 -0.183473D+02
      2  -0.437788D+01 -0.142861D+01  0.123305D+01  0.108450D+02  0.713874D+01
      3   0.466932D+01  0.370482D+01  0.605966D+01 -0.262848D+01  0.112086D+02
      4  -0.170226D+02 -0.190738D+02 -0.521837D+01 -0.436026D+02  0.234308D+02
      5  -0.209791D+02 -0.329987D+01 -0.125354D+02 -0.125574D+02 -0.812411D+01
      6  -0.190867D+01 -0.720269D+01 -0.729831D+01 -0.262835D+01  0.329538D+01
                96            97            98            99           100 
      1  -0.832790D+01 -0.219283D+02 -0.867856D+01 -0.554864D+01  0.914011D+01
      2   0.477458D+01  0.475345D+01 -0.132341D+01  0.703749D+01 -0.308622D+01
      3   0.355332D+01  0.171749D+02  0.100020D+02 -0.148885D+01 -0.605389D+01
      4  -0.782212D+01 -0.226477D+02 -0.816112D+01 -0.228859D+02  0.922314D+01
      5  -0.202234D+02 -0.218741D+02 -0.217353D+02  0.214043D+02  0.123394D+02
      6  -0.386787D+01 -0.106148D+02 -0.522451D+01  0.781293D+01 -0.609918D+01
               101           102           103           104           105 
      1   0.238430D+01  0.380401D+01  0.174803D+02  0.567854D+01  0.124924D+01
      2  -0.989724D+00 -0.234025D+01 -0.171025D+02  0.256452D+01  0.334954D+01
      3  -0.139458D+01 -0.146376D+01 -0.377779D+00 -0.824306D+01 -0.459877D+01
      4   0.357627D+01 -0.434519D+01  0.161273D+01 -0.190643D+02  0.110123D+02
      5  -0.592490D+01 -0.329689D+01 -0.148039D+02  0.134947D+02  0.345318D+02
      6   0.484931D+01  0.731026D+01  0.736498D+01 -0.137245D+02 -0.198957D+02
               106           107           108           109           110 
      1   0.177354D+02 -0.357586D+00 -0.184887D+00  0.181587D+02 -0.142390D+02
      2  -0.171660D+00 -0.116139D+02  0.292727D+01 -0.109882D+02  0.680131D+01
      3  -0.175638D+02  0.119715D+02 -0.274238D+01 -0.717049D+01  0.743770D+01
      4  -0.157148D+02  0.337906D+02  0.266877D+02 -0.197677D+02  0.167910D+02
      5  -0.216756D+02  0.276449D+02  0.176375D+02 -0.289648D+02  0.953096D+01
      6   0.151855D+02 -0.231207D+02 -0.123422D+02  0.120017D+02 -0.320224D+01
               111           112           113           114           115 
      1  -0.214604D+02 -0.157717D+02 -0.789134D+01 -0.669541D+01 -0.297408D+02
      2   0.137843D+02  0.503310D+01  0.171261D+02  0.440333D+01  0.165691D+02
      3   0.767614D+01  0.107386D+02 -0.923476D+01  0.229208D+01  0.131717D+02
      4   0.124012D+02  0.288737D+02 -0.320704D+02 -0.244791D+02  0.279680D+02
      5   0.209533D+02  0.201414D+02 -0.268984D+02 -0.291432D+02  0.382751D+02
      6  -0.510467D+01 -0.932443D+01  0.262274D+02  0.271883D+02 -0.163384D+02
               116           117           118           119           120 
      1  -0.469008D+01 -0.567261D+01  0.860859D+01 -0.496157D+01  0.121989D+02
      2   0.823909D+01 -0.144373D+02 -0.731443D+01  0.899679D+01 -0.835546D+01
      3  -0.354901D+01  0.201099D+02 -0.129416D+01 -0.403522D+01 -0.384346D+01
      4  -0.351878D+02 -0.273285D+02 -0.502934D+00 -0.742967D+01 -0.297657D+01
      5  -0.305514D+02 -0.658461D+02  0.107306D+02  0.152737D+01  0.739550D+01
      6   0.292886D+02  0.370973D+02 -0.407671D+01 -0.210523D+01 -0.151123D+01
               121           122           123           124           125 
      1  -0.160535D+01 -0.251731D+01  0.349637D+01  0.180864D+02  0.120046D+01
      2   0.121352D+02 -0.211652D+02  0.559380D+00 -0.109845D+02 -0.318798D+00
      3  -0.105298D+02  0.236826D+02 -0.405575D+01 -0.710186D+01 -0.881662D+00
      4  -0.196502D+02  0.523590D+02 -0.153876D+01 -0.801074D+01  0.587033D+01
      5   0.333395D+01 -0.204531D+01 -0.188079D+01  0.171922D+02 -0.113698D+02
      6  -0.497921D+01  0.531656D+01  0.671864D+01 -0.458300D+01  0.132176D+02
               126           127           128           129           130 
      1  -0.131516D+01  0.231467D+01  0.229306D+01 -0.134745D+01 -0.110086D+00
      2  -0.763723D+01 -0.225444D+01 -0.246630D+01 -0.155958D+01  0.842615D+00
      3   0.895239D+01 -0.602303D-01  0.173243D+00  0.290703D+01 -0.732529D+00
      4  -0.107209D+02 -0.102525D+02  0.773887D+01 -0.811707D+01  0.510484D+01
      5   0.301823D+02  0.157072D+02 -0.570944D+01  0.142152D+02 -0.828909D+01
      6  -0.175500D+02 -0.876615D+01  0.591211D+01 -0.875499D+01  0.579197D+01
               131           132           133           134           135 
      1  -0.387952D+01  0.479042D+01 -0.474802D+01  0.798943D+01 -0.148004D+02
      2   0.193588D+01 -0.400850D-01 -0.167343D+01 -0.383813D+01 -0.192981D+01
      3   0.194364D+01 -0.475033D+01  0.642145D+01 -0.415130D+01  0.167302D+02
      4  -0.573791D+01  0.598047D+01 -0.861835D+01  0.752354D+01 -0.107867D+02
      5   0.516652D+01 -0.840614D+01  0.154493D+02 -0.799632D+01  0.208753D+02
      6  -0.640338D+01  0.880751D+01 -0.109373D+02  0.121784D+02 -0.192327D+02
               136           137           138           139           140 
      1  -0.302997D+01 -0.172857D+01  0.564509D+01 -0.248800D+01 -0.431838D+01
      2  -0.274050D+01  0.202070D+00  0.280006D+01 -0.571773D+00  0.654463D+00
      3   0.577047D+01  0.152651D+01 -0.844515D+01  0.305977D+01  0.366392D+01
      4   0.542125D+01  0.366389D+01 -0.555044D+01  0.208250D+01  0.148425D+01
      5  -0.895878D+01 -0.341186D+01  0.116559D+02 -0.318164D+01 -0.225913D+01
      6  -0.610976D+01 -0.345402D+01  0.656778D+01 -0.284824D+01 -0.483924D+01
               141           142           143           144           145 
      1   0.815877D+01  0.787518D+01  0.108832D+02 -0.294613D+02  0.277568D+01
      2   0.556901D+00  0.194340D+01 -0.287469D+01 -0.527530D+01 -0.586791D+01
      3  -0.871567D+01 -0.981859D+01 -0.800848D+01  0.347366D+02  0.309223D+01
      4  -0.271857D+01 -0.573411D+01 -0.532180D+01  0.820107D+01 -0.111826D+01
      5   0.363988D+01  0.104141D+02  0.513405D+01 -0.166859D+02  0.119574D+02
      6   0.861701D+01  0.886585D+01  0.129535D+02 -0.242701D+02 -0.718432D+00
               146           147           148           149           150 
      1   0.398783D+00 -0.117120D+01  0.821018D+00 -0.164007D+01  0.502348D+01
      2   0.944566D+00 -0.474107D+01  0.211986D+01 -0.396368D+00  0.280440D+01
      3  -0.134335D+01  0.591226D+01 -0.294088D+01  0.203644D+01 -0.782788D+01
      4   0.327783D+01 -0.926667D+00  0.241597D+01 -0.307645D+01  0.107798D+01
      5  -0.294426D+01  0.103812D+02 -0.432108D+01  0.322069D+01 -0.656038D+01
      6   0.151959D+01 -0.847735D+00  0.775740D+00 -0.274621D+01  0.217068D+01
               151           152           153           154           155 
      1  -0.394902D+01  0.404243D+01 -0.136497D+02 -0.124892D+00  0.586979D+00
      2  -0.612350D+01  0.140038D+01 -0.964093D+01 -0.569159D+01 -0.148356D+01
      3   0.100725D+02 -0.544281D+01  0.232906D+02  0.581648D+01  0.896580D+00
      4  -0.128421D+01  0.252547D+01 -0.163225D+01  0.120623D+01  0.267266D+01
      5   0.127751D+02 -0.407976D+01  0.162189D+02 -0.984970D+01 -0.230488D+01
      6  -0.155227D+01  0.455797D+01 -0.320093D+01  0.841853D+00 -0.140475D+01
               156           157           158           159           160 
      1   0.275514D+01 -0.234199D+01 -0.290133D+01  0.689105D+01  0.411397D+01
      2   0.587560D+01 -0.403920D+00 -0.567890D+00  0.300588D+01  0.754260D+01
      3  -0.863074D+01  0.274591D+01  0.346922D+01 -0.989694D+01 -0.116566D+02
      4  -0.530792D+00  0.114722D+01  0.911433D+00 -0.150653D+01 -0.205097D+01
      5   0.124241D+02 -0.204035D+01 -0.258766D+01  0.356664D+01  0.130569D+02
      6  -0.163858D+01 -0.105012D+01 -0.231726D+01  0.147915D+01  0.794008D-01
               161           162           163           164           165 
      1   0.341841D+01 -0.229160D+02  0.109016D+02 -0.289188D+01 -0.889384D+01
      2   0.230844D+01 -0.164367D+02 -0.835845D+01  0.938044D+00  0.635545D+01
      3  -0.572685D+01  0.393527D+02 -0.254320D+01  0.195383D+01  0.253839D+01
      4  -0.336677D+01  0.197676D+01 -0.690731D+01  0.109865D+02  0.741728D+01
      5   0.399773D+01 -0.211711D+02 -0.163342D+02  0.560135D+01  0.169634D+02
      6   0.476619D+01 -0.669265D-02  0.494592D+01 -0.194565D+01 -0.317418D+01
               166           167           168           169           170 
      1   0.466070D+01  0.131619D+01 -0.255311D+01 -0.173458D+02 -0.388746D+01
      2  -0.355839D+01  0.799114D+00  0.131969D+01  0.146624D+02  0.561689D+00
      3  -0.110230D+01 -0.211530D+01  0.123343D+01  0.268341D+01  0.332577D+01
      4   0.128290D+02 -0.103421D+02 -0.935914D+01  0.144273D+02 -0.156650D+02
      5   0.543979D+01 -0.929526D+01 -0.977233D+01  0.297251D+02 -0.202228D+02
      6  -0.360008D+01  0.677571D+01  0.989087D+01 -0.103936D+02  0.122870D+02
               171           172           173           174           175 
      1  -0.265827D+01  0.217195D+02 -0.106727D+02  0.652103D+01 -0.113773D+02
      2  -0.115216D+02 -0.465824D+01  0.137614D+00 -0.188675D+01 -0.393390D+01
      3   0.141798D+02 -0.170613D+02  0.105351D+02 -0.463428D+01  0.153112D+02
      4  -0.235959D+02 -0.233104D+02  0.264523D+02 -0.625295D+01  0.343144D+02
      5  -0.500757D+02  0.940599D+01 -0.425686D+01  0.804760D+01 -0.553693D+01
      6   0.194967D+02 -0.314670D+01  0.558059D+00 -0.176107D+01  0.253875D+01
               176           177           178           179           180 
      1   0.438309D+01 -0.565381D+00  0.195015D+02 -0.106195D+01  0.272974D+01
      2   0.172510D+02 -0.442548D+01 -0.511134D+01 -0.657936D+01  0.116675D+00
      3  -0.216341D+02  0.499086D+01 -0.143902D+02  0.764132D+01 -0.284642D+01
      4  -0.459909D+02  0.124143D+02 -0.165486D+02  0.245312D+02 -0.148312D+02
      5   0.113186D+02 -0.892254D+01  0.112419D+02 -0.131134D+02  0.816244D+01
      6  -0.481569D+01  0.564987D+01 -0.497295D+01  0.650792D+01 -0.420656D+01
               181           182           183           184           185 
      1   0.149339D+03 -0.179535D+02 -0.169757D+02 -0.296811D+02  0.137952D+02
      2  -0.758866D+02  0.944342D+01  0.827360D+01  0.146670D+02 -0.503921D+01
      3  -0.734526D+02  0.851012D+01  0.870213D+01  0.150140D+02 -0.875601D+01
      4  -0.133979D+02  0.136815D+02  0.158562D+01  0.179893D+02 -0.869751D+01
      5  -0.194683D+02  0.226513D+01  0.165714D+02  0.265699D+01 -0.603889D+01
      6   0.649521D+00 -0.105248D+01  0.157486D+01 -0.134839D+01 -0.758300D-01
               186           187           188           189           190 
      1   0.311130D+01 -0.207178D+02  0.208759D+01  0.165250D+02 -0.461620D+02
      2  -0.216539D+01  0.117907D+02 -0.202369D+01 -0.101793D+02  0.229315D+02
      3  -0.945906D+00  0.892708D+01 -0.638912D-01 -0.634570D+01  0.232305D+02
      4  -0.564222D+01  0.500592D+00 -0.527568D+01 -0.215943D-01 -0.448719D+01
      5  -0.523567D+00  0.238547D+02 -0.291269D+00 -0.438813D+01 -0.111037D+02
      6   0.253521D+01 -0.637693D-01  0.271056D+01  0.831643D+00  0.602568D+01
               191           192           193           194           195 
      1   0.101149D+02  0.132591D+02  0.960747D+01 -0.712620D+01 -0.549022D+01
      2  -0.582210D+01 -0.206119D+01 -0.455212D+01  0.444233D+01  0.384024D+01
      3  -0.429281D+01 -0.111979D+02 -0.505534D+01  0.268388D+01  0.164998D+01
      4  -0.277889D+01 -0.130876D+01  0.261210D+01  0.349460D+01  0.562965D+01
      5  -0.136265D+01 -0.748229D+01  0.729886D+00  0.493016D+01 -0.160566D-01
      6  -0.539926D+01 -0.655333D+01 -0.182435D+01  0.425979D+01  0.506425D+01
               196           197           198           199           200 
      1   0.102893D+02 -0.290791D+01 -0.872552D+01  0.328609D+02  0.209182D+02
      2  -0.259659D+01  0.157467D+01  0.360352D+00 -0.140750D+02 -0.535842D+01
      3  -0.769273D+01  0.133324D+01  0.836516D+01 -0.187859D+02 -0.155598D+02
      4   0.724491D+00  0.362799D+01 -0.138850D+01  0.339628D+02  0.322390D+02
      5   0.245624D+01 -0.129213D+01  0.371492D+01  0.271808D+02  0.172529D+02
      6  -0.324233D+01  0.410009D+01  0.212811D+01  0.126417D+02  0.116847D+02
               201           202           203           204           205 
      1   0.133644D+02  0.250001D+02  0.154706D+02  0.617469D+01  0.695832D+01
      2  -0.927538D+01 -0.623671D+01  0.289262D+01 -0.286031D+01 -0.603234D+01
      3  -0.408902D+01 -0.187634D+02 -0.183632D+02 -0.331438D+01 -0.925981D+00
      4   0.139877D+02  0.408522D+02  0.491746D+02  0.243109D+02  0.969021D+01
      5   0.217322D+02  0.249792D+02  0.283349D+02  0.214424D+02  0.180984D+02
      6   0.800203D+01  0.157223D+02  0.211764D+02  0.150574D+02  0.729122D+01
               206           207           208           209           210 
      1   0.175683D+01  0.635702D+01  0.109262D+02 -0.631451D+01  0.125486D+02
      2  -0.175271D+01 -0.558689D+01 -0.928318D+01  0.587498D+01 -0.111676D+02
      3  -0.412157D-02 -0.770125D+00 -0.164298D+01  0.439532D+00 -0.138095D+01
      4   0.120690D+02  0.115167D+02 -0.692126D+01  0.127573D+02 -0.591945D+01
      5   0.120945D+02  0.143149D+02  0.174619D+02 -0.824948D+01  0.190123D+02
      6   0.105404D+02  0.759940D+01 -0.140025D+01  0.428959D+01 -0.166714D+01
               211           212           213           214           215 
      1  -0.115811D+02  0.670950D+01 -0.424088D+01  0.103906D+02 -0.160786D+01
      2   0.109288D+02 -0.925500D+01  0.149859D+02 -0.116096D+02  0.103992D+02
      3   0.652212D+00  0.254550D+01 -0.107451D+02  0.121901D+01 -0.879137D+01
      4   0.135943D+02 -0.264797D+02  0.223513D+02 -0.567880D+01  0.163350D+02
      5  -0.161726D+02  0.254117D+02 -0.339633D+02  0.198191D+02 -0.195233D+02
      6   0.521968D+01 -0.119506D+02  0.938551D+01 -0.231125D+01  0.976991D+01
               216           217           218           219           220 
      1   0.224728D+01  0.151154D+01  0.226905D+01 -0.861543D+01 -0.149465D+01
      2  -0.192673D+02 -0.285475D+01  0.463632D+00  0.703518D+01  0.302592D+01
      3   0.170200D+02  0.134321D+01 -0.273268D+01  0.158026D+01 -0.153127D+01
      4  -0.176007D+02  0.302908D+01  0.664147D+01 -0.255754D+01  0.440197D+01
      5   0.366520D+02 -0.107718D+02 -0.103572D+01  0.147045D+02  0.167526D+01
      6  -0.758640D+01 -0.252080D+01 -0.132012D+01  0.194245D+01 -0.729623D+00
               221           222           223           224           225 
      1   0.509194D+00  0.393501D-01 -0.863938D+01  0.189388D+01 -0.117062D+02
      2  -0.135971D+01 -0.519714D+01  0.903842D+01 -0.418703D+01 -0.259678D+02
      3   0.850516D+00  0.515779D+01 -0.399044D+00  0.229315D+01  0.376740D+02
      4  -0.101847D+00 -0.438170D+01 -0.518808D+01 -0.861262D+01  0.354301D+01
      5  -0.531512D+01 -0.125059D+02  0.178701D+02  0.265305D+01 -0.696646D+02
      6   0.190905D+00  0.284140D+01  0.467846D+01  0.726068D+01 -0.239634D+02
               226           227           228           229           230 
      1   0.260750D+02  0.201024D+02  0.140384D+01  0.182048D+02  0.103109D+02
      2   0.114891D+00  0.546511D+01  0.364555D+00  0.852939D+01  0.275417D+02
      3  -0.261899D+02 -0.255675D+02 -0.176840D+01 -0.267342D+02 -0.378525D+02
      4   0.404657D+02  0.447162D+02 -0.186178D+01  0.472351D+02  0.686517D+02
      5  -0.438049D+01 -0.572133D+01  0.947955D+01 -0.603090D+01 -0.533703D+01
      6  -0.358084D+01 -0.509157D+01  0.540349D+01 -0.524670D+01 -0.888087D+01
               231           232           233           234           235 
      1  -0.408995D+00  0.658604D+01  0.193980D+01  0.339920D+01 -0.428466D+02
      2   0.872200D+00  0.562429D+00  0.501790D+01 -0.141926D+01  0.286362D+02
      3  -0.463205D+00 -0.714847D+01 -0.695771D+01 -0.197993D+01  0.142104D+02
      4  -0.194740D+01  0.822073D+01  0.136947D+02  0.705812D+01 -0.130599D+02
      5   0.675112D+01  0.741821D+01  0.560234D+01 -0.181507D+01  0.121324D+02
      6   0.634342D+01  0.418030D+01  0.471953D+01  0.173818D+00  0.246513D+00
               236           237           238           239           240 
      1   0.142630D+02  0.135556D+01  0.108226D+02 -0.988102D+01  0.233896D+00
      2  -0.141079D+02 -0.176963D+01 -0.832389D+01  0.121155D+02  0.207546D+00
      3  -0.155097D+00  0.414066D+00 -0.249875D+01 -0.223447D+01 -0.441442D+00
      4  -0.391104D+01  0.338171D+01  0.364390D+01  0.529697D+01  0.310918D+00
      5   0.663338D+00 -0.610680D+01 -0.190049D+01  0.199559D+01 -0.379413D+00
      6   0.350890D+01 -0.480448D+01  0.123933D+01 -0.162842D+01  0.984456D+00
               241           242           243           244           245 
      1   0.586578D+01 -0.277690D+01 -0.555384D+01  0.245685D+01  0.388323D+01
      2  -0.340678D+01  0.382480D+01  0.951700D-01 -0.406224D+01 -0.219338D+01
      3  -0.245899D+01 -0.104790D+01  0.545867D+01  0.160540D+01 -0.168985D+01
      4   0.148681D+01  0.375476D+01 -0.125429D+01  0.623028D+01  0.691055D+01
      5  -0.124424D+01 -0.448160D-01 -0.374529D+01 -0.106847D+02 -0.270835D+01
      6  -0.240287D+01  0.136643D+01 -0.888701D+00 -0.429409D+01 -0.480237D+00
               246           247           248           249           250 
      1  -0.595527D+01  0.443455D+01 -0.291343D+00  0.194342D+01 -0.776637D+01
      2   0.454723D+01 -0.216806D+01  0.131896D+01 -0.161053D+01  0.763353D+01
      3   0.140804D+01 -0.226649D+01 -0.102762D+01 -0.332888D+00  0.132835D+00
      4  -0.358514D+01  0.103344D+02  0.619753D+01 -0.706160D+01 -0.603421D+01
      5   0.122944D+02 -0.371218D+01 -0.719847D+01  0.110480D+02  0.162728D+02
      6   0.255982D+01 -0.210738D+01 -0.603716D+01  0.818990D+01  0.430639D+01
               251           252           253           254           255 
      1   0.207527D+01 -0.448438D+01 -0.880894D+02 -0.523396D+01  0.793320D+01
      2   0.105419D+01 -0.974491D+01  0.449612D+02  0.103257D+02 -0.566854D+01
      3  -0.312946D+01  0.142293D+02  0.431281D+02 -0.509171D+01 -0.226466D+01
      4  -0.105406D+02  0.108133D+02 -0.943080D+01  0.265918D+02  0.115253D+02
      5   0.954709D+01 -0.353880D+02  0.129279D+02  0.871578D+01  0.153640D+02
      6   0.739586D+01 -0.127785D+02  0.961683D+01  0.654584D+01  0.544050D+01
               256           257           258           259           260 
      1   0.190757D+02  0.358704D+02  0.371331D+01  0.320952D+02  0.393101D+01
      2  -0.659514D+01 -0.401768D+02 -0.779466D+01 -0.139423D+02 -0.328460D+01
      3  -0.124805D+02  0.430638D+01  0.408135D+01 -0.181529D+02 -0.646410D+00
      4   0.296606D+02 -0.305756D+02  0.516823D+01  0.236025D+02  0.157350D+02
      5   0.139564D+02  0.782253D+01  0.183338D+02  0.225016D+02  0.198466D+02
      6   0.715223D+01 -0.436379D+01  0.624191D+01  0.955486D+01  0.844852D+01
               261           262           263           264           265 
      1   0.159515D+02  0.746377D+01 -0.931371D+01  0.303688D+01 -0.695279D+01
      2   0.548417D+01  0.201359D+01 -0.885385D+00 -0.247213D+00 -0.101552D+02
      3  -0.214357D+02 -0.947736D+01  0.101991D+02 -0.278967D+01  0.171080D+02
      4   0.231957D+02 -0.157984D+02  0.193973D+02 -0.462903D+01  0.325736D+02
      5  -0.185704D+02  0.588026D+01 -0.484487D+01  0.404960D+01 -0.928398D+01
      6  -0.290689D+01 -0.383866D+01  0.338675D+01 -0.163401D+01  0.716869D+01
               266           267           268           269           270 
      1  -0.567594D+01  0.657033D+00  0.437766D+00  0.108950D+01 -0.791483D+00
      2   0.375429D+02 -0.674236D+01 -0.219141D+01  0.380320D+01  0.161027D+01
      3  -0.318669D+02  0.608533D+01  0.175364D+01 -0.489270D+01 -0.818784D+00
      4  -0.677368D+02  0.149213D+02  0.176499D+01 -0.352805D+01 -0.488995D+01
      5   0.162081D+02 -0.120654D+02  0.364819D+01 -0.500443D+01  0.539831D+01
      6  -0.163207D+02  0.891041D+01 -0.224886D+01  0.540030D+01 -0.367293D+01
               271           272           273           274           275 
      1   0.641142D+01 -0.333362D+00  0.533942D+01 -0.725140D+01 -0.585286D+01
      2  -0.596366D+01 -0.799966D+00 -0.202574D+01  0.384995D+01  0.309961D+01
      3  -0.447756D+00  0.113333D+01 -0.331368D+01  0.340145D+01  0.275325D+01
      4  -0.121093D+01 -0.322441D+01 -0.368286D+00 -0.268983D+01 -0.229945D+01
      5   0.304800D+01 -0.170559D+01 -0.755192D-01 -0.439088D+01  0.366117D+01
      6  -0.462297D+00 -0.149770D+01 -0.117920D+01 -0.631876D+00 -0.160250D+00
               276           277           278           279           280 
      1  -0.398211D+00  0.103353D+02  0.284696D-02 -0.116329D+02  0.135356D+03
      2   0.498192D+01 -0.699832D+01  0.442089D+01 -0.157545D+02 -0.643955D+02
      3  -0.458371D+01 -0.333700D+01 -0.442374D+01  0.273875D+02 -0.709606D+02
      4   0.400086D+01  0.476201D+01  0.876722D+01 -0.357488D+01  0.425623D+02
      5  -0.973065D+01  0.997787D+01 -0.258865D+01  0.433520D+02  0.106374D+02
      6   0.117638D+01  0.147337D+01  0.341792D+01  0.124803D+02 -0.285438D+00
               281           282           283           284           285 
      1   0.995849D+01 -0.116993D+01 -0.807830D+01  0.706910D+01 -0.428856D+00
      2  -0.143450D+01 -0.296674D+00  0.656516D+01 -0.248281D+00  0.710513D+00
      3  -0.852399D+01  0.146660D+01  0.151315D+01 -0.682082D+01 -0.281657D+00
      4   0.176868D+02  0.966660D+00  0.125715D+02  0.594964D+01 -0.102124D+01
      5   0.150321D+01  0.130514D+02 -0.165071D+01 -0.690531D+00 -0.226703D+01
      6   0.179765D+01  0.357167D+01  0.462406D+00  0.521891D+00  0.174779D+00
               286           287           288           289           290 
      1  -0.181799D+02 -0.185528D+01  0.897209D+01  0.235569D+01  0.131154D+02
      2   0.751942D+01 -0.414323D-01 -0.665698D+01  0.157272D+01 -0.131008D+02
      3   0.106605D+02  0.189671D+01 -0.231510D+01 -0.392841D+01 -0.145976D-01
      4  -0.767090D+01 -0.463458D+01  0.127566D+01  0.444357D+01 -0.647241D+01
      5   0.124818D+02 -0.498058D+00 -0.409114D+00 -0.172130D+01 -0.641182D+00
      6   0.316917D+01  0.659418D+00 -0.487405D+00 -0.162316D+00 -0.276721D+01
               291           292           293           294           295 
      1   0.257918D+00  0.107556D+02 -0.313773D+02 -0.289304D+01 -0.408604D+01
      2  -0.356510D+00 -0.295393D+01  0.543394D+02  0.317966D+01  0.742503D+00
      3   0.985919D-01 -0.780172D+01 -0.229622D+02 -0.286616D+00  0.334353D+01
      4  -0.217169D+01  0.124926D+02  0.622123D+02  0.675130D+01 -0.325090D+01
      5  -0.252675D+01  0.305487D+01  0.422484D+01  0.714939D+01  0.306015D+00
      6  -0.218104D+01  0.695984D+00  0.119510D+02  0.760111D+01 -0.302491D-01
               296           297 
      1  -0.983197D+00 -0.537650D+01
      2  -0.159629D+01  0.396446D+01
      3   0.257949D+01  0.141204D+01
      4  -0.475187D+01  0.399202D+01
      5   0.477396D+01  0.228495D+01
      6   0.691903D+01  0.153178D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:52:52 2021, MaxMem=  6442450944 cpu:           63616.4 elap:            7956.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20263 -19.14490 -10.32328 -10.21206 -10.20059
 Alpha  occ. eigenvalues --  -10.19455 -10.19007 -10.19006 -10.18894 -10.18781
 Alpha  occ. eigenvalues --  -10.18758 -10.18734 -10.18384 -10.17066 -10.17021
 Alpha  occ. eigenvalues --   -1.12093  -1.03100  -0.87476  -0.82874  -0.80300
 Alpha  occ. eigenvalues --   -0.75431  -0.75006  -0.69022  -0.68701  -0.67162
 Alpha  occ. eigenvalues --   -0.62665  -0.61140  -0.58524  -0.56018  -0.51479
 Alpha  occ. eigenvalues --   -0.49887  -0.48606  -0.47875  -0.46894  -0.45984
 Alpha  occ. eigenvalues --   -0.45086  -0.43584  -0.43276  -0.42744  -0.42154
 Alpha  occ. eigenvalues --   -0.41784  -0.39352  -0.38713  -0.38420  -0.37466
 Alpha  occ. eigenvalues --   -0.37116  -0.36286  -0.35272  -0.33985  -0.33522
 Alpha  occ. eigenvalues --   -0.33273  -0.33136  -0.31925  -0.28765  -0.26013
 Alpha  occ. eigenvalues --   -0.24485
 Alpha virt. eigenvalues --   -0.02888  -0.01914  -0.01452  -0.00747   0.00072
 Alpha virt. eigenvalues --    0.00260   0.00774   0.01216   0.01496   0.01762
 Alpha virt. eigenvalues --    0.02627   0.03074   0.03215   0.03921   0.04031
 Alpha virt. eigenvalues --    0.04222   0.05390   0.05604   0.06180   0.06542
 Alpha virt. eigenvalues --    0.06620   0.06993   0.07263   0.07791   0.07889
 Alpha virt. eigenvalues --    0.08369   0.08676   0.09274   0.09448   0.09530
 Alpha virt. eigenvalues --    0.09793   0.09901   0.10271   0.10493   0.10843
 Alpha virt. eigenvalues --    0.11221   0.11379   0.11678   0.11820   0.11976
 Alpha virt. eigenvalues --    0.12406   0.12982   0.13036   0.13104   0.13542
 Alpha virt. eigenvalues --    0.13817   0.14049   0.14604   0.14781   0.15290
 Alpha virt. eigenvalues --    0.15574   0.15740   0.15962   0.16114   0.16453
 Alpha virt. eigenvalues --    0.16731   0.16911   0.17190   0.17817   0.18601
 Alpha virt. eigenvalues --    0.18909   0.18950   0.19483   0.19658   0.20452
 Alpha virt. eigenvalues --    0.20843   0.21230   0.21642   0.21951   0.22374
 Alpha virt. eigenvalues --    0.22630   0.22771   0.23215   0.23515   0.23859
 Alpha virt. eigenvalues --    0.24249   0.24306   0.24886   0.24964   0.25028
 Alpha virt. eigenvalues --    0.25549   0.25628   0.26172   0.26576   0.27238
 Alpha virt. eigenvalues --    0.27495   0.27563   0.27908   0.28333   0.28943
 Alpha virt. eigenvalues --    0.29259   0.29566   0.30105   0.30404   0.30811
 Alpha virt. eigenvalues --    0.30938   0.31254   0.31741   0.32021   0.32746
 Alpha virt. eigenvalues --    0.33086   0.33438   0.34141   0.34314   0.34621
 Alpha virt. eigenvalues --    0.34943   0.35267   0.35899   0.36202   0.36597
 Alpha virt. eigenvalues --    0.36932   0.37219   0.37517   0.37730   0.37960
 Alpha virt. eigenvalues --    0.38382   0.38751   0.39091   0.39675   0.39828
 Alpha virt. eigenvalues --    0.40175   0.40803   0.41170   0.41241   0.42058
 Alpha virt. eigenvalues --    0.42212   0.43135   0.43661   0.44195   0.44802
 Alpha virt. eigenvalues --    0.44941   0.45262   0.45846   0.46349   0.46742
 Alpha virt. eigenvalues --    0.47051   0.47270   0.47857   0.48468   0.48918
 Alpha virt. eigenvalues --    0.49027   0.49416   0.49871   0.50011   0.50403
 Alpha virt. eigenvalues --    0.51112   0.51915   0.52198   0.53224   0.53521
 Alpha virt. eigenvalues --    0.54263   0.54592   0.54958   0.55258   0.55765
 Alpha virt. eigenvalues --    0.56417   0.57124   0.57323   0.57743   0.58259
 Alpha virt. eigenvalues --    0.58511   0.58882   0.59274   0.59513   0.59630
 Alpha virt. eigenvalues --    0.60083   0.60517   0.61179   0.61403   0.61648
 Alpha virt. eigenvalues --    0.62452   0.63015   0.63147   0.63423   0.64040
 Alpha virt. eigenvalues --    0.64426   0.64776   0.65305   0.65445   0.65917
 Alpha virt. eigenvalues --    0.66211   0.66519   0.66772   0.67292   0.67591
 Alpha virt. eigenvalues --    0.67696   0.68252   0.69041   0.69610   0.69734
 Alpha virt. eigenvalues --    0.70815   0.70867   0.71195   0.71918   0.72658
 Alpha virt. eigenvalues --    0.73337   0.74225   0.74435   0.74893   0.75086
 Alpha virt. eigenvalues --    0.75790   0.76103   0.76499   0.77183   0.77836
 Alpha virt. eigenvalues --    0.78212   0.78505   0.78918   0.79310   0.79925
 Alpha virt. eigenvalues --    0.80414   0.80631   0.81566   0.82169   0.82887
 Alpha virt. eigenvalues --    0.83017   0.84158   0.84474   0.85328   0.85661
 Alpha virt. eigenvalues --    0.86577   0.86951   0.87513   0.88520   0.88832
 Alpha virt. eigenvalues --    0.89921   0.90303   0.91402   0.92362   0.92555
 Alpha virt. eigenvalues --    0.93253   0.94372   0.94603   0.95670   0.96559
 Alpha virt. eigenvalues --    0.96768   0.97569   0.99254   0.99739   1.00046
 Alpha virt. eigenvalues --    1.01566   1.03048   1.03226   1.03800   1.05339
 Alpha virt. eigenvalues --    1.06111   1.06759   1.08006   1.08185   1.09332
 Alpha virt. eigenvalues --    1.09677   1.10260   1.10539   1.12645   1.13111
 Alpha virt. eigenvalues --    1.13877   1.14973   1.15567   1.16371   1.17535
 Alpha virt. eigenvalues --    1.18038   1.18554   1.19354   1.20593   1.22046
 Alpha virt. eigenvalues --    1.22832   1.24061   1.24148   1.26715   1.27744
 Alpha virt. eigenvalues --    1.28931   1.32156   1.32991   1.33683   1.35162
 Alpha virt. eigenvalues --    1.35454   1.37146   1.38189   1.38806   1.39413
 Alpha virt. eigenvalues --    1.39670   1.41016   1.42281   1.42827   1.44848
 Alpha virt. eigenvalues --    1.45203   1.46535   1.46885   1.48144   1.48493
 Alpha virt. eigenvalues --    1.49676   1.50588   1.51775   1.52271   1.53355
 Alpha virt. eigenvalues --    1.53955   1.55025   1.55422   1.56579   1.57378
 Alpha virt. eigenvalues --    1.58680   1.59302   1.59923   1.60464   1.61340
 Alpha virt. eigenvalues --    1.61602   1.63561   1.64728   1.65379   1.65825
 Alpha virt. eigenvalues --    1.67673   1.68283   1.69695   1.69803   1.70428
 Alpha virt. eigenvalues --    1.71019   1.72014   1.72766   1.72977   1.73995
 Alpha virt. eigenvalues --    1.74104   1.75061   1.77041   1.78062   1.78923
 Alpha virt. eigenvalues --    1.79749   1.80337   1.80801   1.81407   1.81841
 Alpha virt. eigenvalues --    1.82551   1.83341   1.84743   1.85670   1.86057
 Alpha virt. eigenvalues --    1.87029   1.88654   1.88793   1.89843   1.90072
 Alpha virt. eigenvalues --    1.90778   1.91136   1.91942   1.92423   1.93757
 Alpha virt. eigenvalues --    1.94263   1.94640   1.96545   1.97319   1.98324
 Alpha virt. eigenvalues --    1.99002   2.00245   2.00729   2.02341   2.02677
 Alpha virt. eigenvalues --    2.03677   2.05125   2.05711   2.06605   2.06933
 Alpha virt. eigenvalues --    2.07804   2.09629   2.09960   2.11611   2.11914
 Alpha virt. eigenvalues --    2.13216   2.14155   2.15223   2.15535   2.16743
 Alpha virt. eigenvalues --    2.17289   2.18494   2.19244   2.20022   2.20575
 Alpha virt. eigenvalues --    2.21314   2.21949   2.24301   2.25970   2.27454
 Alpha virt. eigenvalues --    2.28506   2.29120   2.29859   2.30243   2.30503
 Alpha virt. eigenvalues --    2.31161   2.31618   2.32001   2.32220   2.33695
 Alpha virt. eigenvalues --    2.34270   2.36756   2.37903   2.40783   2.43190
 Alpha virt. eigenvalues --    2.45700   2.45990   2.47790   2.47957   2.49696
 Alpha virt. eigenvalues --    2.50538   2.51899   2.53826   2.54187   2.54761
 Alpha virt. eigenvalues --    2.58251   2.60045   2.61802   2.62790   2.63641
 Alpha virt. eigenvalues --    2.65884   2.68074   2.68814   2.69693   2.70818
 Alpha virt. eigenvalues --    2.71948   2.74520   2.76452   2.78735   2.79504
 Alpha virt. eigenvalues --    2.80558   2.84387   2.87847   2.89837   2.91226
 Alpha virt. eigenvalues --    2.92877   2.94229   3.04350   3.07056   3.09064
 Alpha virt. eigenvalues --    3.11261   3.18827   3.21066   3.23627   3.34129
 Alpha virt. eigenvalues --    3.36145   3.38767   3.39783   3.45063   3.46693
 Alpha virt. eigenvalues --    3.47583   3.49392   3.53633   3.62773   3.67347
 Alpha virt. eigenvalues --    3.69842   3.72843   3.82814   3.92947   4.06715
 Alpha virt. eigenvalues --    4.80079
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   56.178187 -23.672290 -30.569700  14.462998 -16.198453   8.486278
     2  C  -23.672290  38.313300  15.529033 -15.997627  12.577493 -20.755142
     3  C  -30.569700  15.529033  59.203639 -22.859968   5.792515 -17.136982
     4  C   14.462998 -15.997627 -22.859968  41.980737 -18.099844  11.012041
     5  C  -16.198453  12.577493   5.792515 -18.099844  52.574328 -26.371108
     6  C    8.486278 -20.755142 -17.136982  11.012041 -26.371108  54.226532
     7  C   -3.428162  -0.301813   2.428100  -2.677973   2.071131  -3.968852
     8  C    0.754327  -0.145631  -0.328892   0.345903  -0.388269   0.709140
     9  C   -0.072395  -0.156945   0.111893  -0.117117   0.171548  -0.515636
    10  C   -0.464272  -0.035303   0.207700  -0.173412   0.002261  -0.184719
    11  C    2.234351  -2.329840  -3.653601  -6.105342  -2.933674   2.239757
    12  C   -0.107353  -0.067924  -0.161369   0.693928  -1.219026   0.114084
    13  O    0.013753   0.017535   0.059712   0.104568   0.024461  -0.042346
    14  O    0.006499   0.004159   0.019863   0.201675   0.179784  -0.125322
    15  H   -5.989466   3.062230   2.270837  -1.546856   0.092757   0.368464
    16  H    2.574575  -1.789868  -6.781200   3.544795   0.522866   0.069860
    17  H   -0.257800  -0.969944   0.627403   1.699734  -5.534300   2.449438
    18  H    0.388404   2.906577   0.067730  -1.543983   2.346112  -6.048888
    19  H   -0.819522  -0.336700  -0.366958   0.162739   0.585848   1.182198
    20  H    1.258492  -0.525291   0.602210   0.112976  -0.365760  -0.855390
    21  H    0.032322  -0.029271  -0.016007   0.028733  -0.012171   0.045475
    22  H    0.158766   0.138207  -0.174441   0.073168   0.028823  -0.091940
    23  H   -0.164229  -0.022721   0.035488  -0.031777   0.011017   0.056822
    24  H    0.077196   0.057605   0.134847  -0.003589   0.018390  -0.047834
    25  H   -0.056730  -0.019628   0.019232   0.006282   0.163615   0.121896
    26  H    0.056738   0.009568   0.007701  -0.031384   0.014590  -0.160481
    27  H   -0.097491   0.149438   0.046592   0.050005  -0.193886   0.146764
    28  H    0.086002   0.046449   0.346309   0.743745  -0.335313  -0.060585
    29  C    0.214094  -0.336776  -0.414473  -0.482522  -0.395221   0.293552
    30  H    0.007676  -0.005516  -0.028576  -0.089371   0.006369   0.034871
    31  H    0.113705  -0.170938  -0.018650  -0.262678  -0.395290   0.130374
    32  H   -0.079165   0.112335  -0.112441   1.414976   0.124679  -0.099158
    33  H    0.098923  -0.094707   0.071746  -0.818812  -0.002730   0.112317
               7          8          9         10         11         12
     1  C   -3.428162   0.754327  -0.072395  -0.464272   2.234351  -0.107353
     2  C   -0.301813  -0.145631  -0.156945  -0.035303  -2.329840  -0.067924
     3  C    2.428100  -0.328892   0.111893   0.207700  -3.653601  -0.161369
     4  C   -2.677973   0.345903  -0.117117  -0.173412  -6.105342   0.693928
     5  C    2.071131  -0.388269   0.171548   0.002261  -2.933674  -1.219026
     6  C   -3.968852   0.709140  -0.515636  -0.184719   2.239757   0.114084
     7  C   13.495819  -1.678492   0.484717   0.502170  -0.605317  -0.020286
     8  C   -1.678492   9.477813  -0.673636  -0.701125   0.070673   0.000391
     9  C    0.484717  -0.673636   5.344071  -0.252774  -0.052864   0.005538
    10  C    0.502170  -0.701125  -0.252774   5.398639  -0.032081  -0.005962
    11  C   -0.605317   0.070673  -0.052864  -0.032081  20.754783  -2.240215
    12  C   -0.020286   0.000391   0.005538  -0.005962  -2.240215   8.304356
    13  O    0.002925  -0.000381  -0.000127   0.000601   0.051327  -0.177533
    14  O   -0.004466   0.000880   0.000122  -0.001298  -0.571751  -0.056637
    15  H   -0.060351  -0.035855   0.011029   0.025494   0.120283   0.002813
    16  H    0.100069  -0.025013   0.016622   0.005388   0.186772  -0.031399
    17  H    0.147875  -0.028279   0.004427   0.028193  -0.021171   0.137361
    18  H    0.148104  -0.034675   0.032916   0.031154  -0.010724   0.016495
    19  H   -0.927680   0.164079   0.009554  -0.032208  -0.005469  -0.004443
    20  H   -0.808268   0.220815  -0.019664   0.016078  -0.017732   0.002115
    21  H    0.152780  -1.738328   0.188660   0.200582   0.004027   0.000116
    22  H   -0.262357  -0.119284   0.522221  -0.264747   0.013058   0.000264
    23  H    0.127388   0.058985   0.001053   0.138931  -0.005619   0.001477
    24  H   -0.236569   0.436509  -0.399992  -0.002494   0.002068  -0.000601
    25  H   -0.201635   0.417796  -0.002186  -0.420185  -0.004377   0.001878
    26  H    0.108249   0.070075   0.151598  -0.017603  -0.000121  -0.001195
    27  H   -0.248774  -0.121753  -0.273299   0.564131   0.003945  -0.001254
    28  H   -0.022092   0.004839  -0.001966  -0.002002  -2.377979   0.218713
    29  C   -0.070488   0.002191  -0.002866  -0.002109   0.725479   0.088941
    30  H   -0.000385   0.000111   0.000074  -0.000191   0.225810  -0.203320
    31  H   -0.021091   0.001975  -0.000870  -0.000941   0.247445   0.039202
    32  H    0.005053  -0.000458   0.000141   0.000079  -1.091583  -0.037200
    33  H   -0.014164   0.000708  -0.000385  -0.000368   0.777470  -0.015025
              13         14         15         16         17         18
     1  C    0.013753   0.006499  -5.989466   2.574575  -0.257800   0.388404
     2  C    0.017535   0.004159   3.062230  -1.789868  -0.969944   2.906577
     3  C    0.059712   0.019863   2.270837  -6.781200   0.627403   0.067730
     4  C    0.104568   0.201675  -1.546856   3.544795   1.699734  -1.543983
     5  C    0.024461   0.179784   0.092757   0.522866  -5.534300   2.346112
     6  C   -0.042346  -0.125322   0.368464   0.069860   2.449438  -6.048888
     7  C    0.002925  -0.004466  -0.060351   0.100069   0.147875   0.148104
     8  C   -0.000381   0.000880  -0.035855  -0.025013  -0.028279  -0.034675
     9  C   -0.000127   0.000122   0.011029   0.016622   0.004427   0.032916
    10  C    0.000601  -0.001298   0.025494   0.005388   0.028193   0.031154
    11  C    0.051327  -0.571751   0.120283   0.186772  -0.021171  -0.010724
    12  C   -0.177533  -0.056637   0.002813  -0.031399   0.137361   0.016495
    13  O    8.513431   0.003647  -0.000578   0.002827  -0.010942  -0.001151
    14  O    0.003647   8.452795  -0.000696   0.009463  -0.091535  -0.001313
    15  H   -0.000578  -0.000696   4.308013  -0.324755   0.017239  -0.070227
    16  H    0.002827   0.009463  -0.324755   4.351176  -0.062480   0.025540
    17  H   -0.010942  -0.091535   0.017239  -0.062480   4.631553  -0.411851
    18  H   -0.001151  -0.001313  -0.070227   0.025540  -0.411851   4.446211
    19  H    0.000255  -0.000220   0.046535  -0.006409  -0.000449  -0.100698
    20  H    0.000037   0.000002  -0.099888  -0.001208  -0.006045   0.048130
    21  H   -0.000011   0.000032   0.004238  -0.001055  -0.001059   0.003330
    22  H   -0.000346  -0.000126  -0.014991  -0.006441  -0.000455   0.019592
    23  H   -0.000104   0.000031   0.011816   0.001331  -0.000569  -0.000181
    24  H    0.000053  -0.000010  -0.004904  -0.002404   0.001286  -0.003671
    25  H   -0.000042   0.000137  -0.004100   0.001207  -0.001884  -0.006963
    26  H    0.000105  -0.000197   0.000237  -0.000725   0.001899   0.013914
    27  H    0.000396   0.000377   0.020723  -0.001380  -0.003275  -0.022594
    28  H    0.057482   0.073056  -0.010374  -0.175450  -0.015132   0.000283
    29  C   -0.015485   0.070114   0.015433   0.020130  -0.036487   0.004494
    30  H   -0.024562   0.284531   0.000223  -0.001892   0.010760   0.001458
    31  H   -0.001373   0.027783   0.003068  -0.006347  -0.130610   0.003762
    32  H    0.010847   0.014604  -0.001512   0.017766   0.029943  -0.004332
    33  H   -0.000207   0.015203   0.003451  -0.010104  -0.017688   0.003844
              19         20         21         22         23         24
     1  C   -0.819522   1.258492   0.032322   0.158766  -0.164229   0.077196
     2  C   -0.336700  -0.525291  -0.029271   0.138207  -0.022721   0.057605
     3  C   -0.366958   0.602210  -0.016007  -0.174441   0.035488   0.134847
     4  C    0.162739   0.112976   0.028733   0.073168  -0.031777  -0.003589
     5  C    0.585848  -0.365760  -0.012171   0.028823   0.011017   0.018390
     6  C    1.182198  -0.855390   0.045475  -0.091940   0.056822  -0.047834
     7  C   -0.927680  -0.808268   0.152780  -0.262357   0.127388  -0.236569
     8  C    0.164079   0.220815  -1.738328  -0.119284   0.058985   0.436509
     9  C    0.009554  -0.019664   0.188660   0.522221   0.001053  -0.399992
    10  C   -0.032208   0.016078   0.200582  -0.264747   0.138931  -0.002494
    11  C   -0.005469  -0.017732   0.004027   0.013058  -0.005619   0.002068
    12  C   -0.004443   0.002115   0.000116   0.000264   0.001477  -0.000601
    13  O    0.000255   0.000037  -0.000011  -0.000346  -0.000104   0.000053
    14  O   -0.000220   0.000002   0.000032  -0.000126   0.000031  -0.000010
    15  H    0.046535  -0.099888   0.004238  -0.014991   0.011816  -0.004904
    16  H   -0.006409  -0.001208  -0.001055  -0.006441   0.001331  -0.002404
    17  H   -0.000449  -0.006045  -0.001059  -0.000455  -0.000569   0.001286
    18  H   -0.100698   0.048130   0.003330   0.019592  -0.000181  -0.003671
    19  H    2.762820  -0.703857  -0.016775   0.016758  -0.019868   0.031085
    20  H   -0.703857   2.759814  -0.018592  -0.018482   0.030380  -0.030948
    21  H   -0.016775  -0.018592   2.893965   0.133749  -0.079776  -0.098887
    22  H    0.016758  -0.018482   0.133749   2.040441  -0.620988  -0.349904
    23  H   -0.019868   0.030380  -0.079776  -0.620988   2.501659  -0.607799
    24  H    0.031085  -0.030948  -0.098887  -0.349904  -0.607799   2.348080
    25  H   -0.031141   0.031469  -0.098515   0.000530   0.042789  -0.024106
    26  H    0.032592  -0.021916  -0.079905   0.001608  -0.065823   0.043081
    27  H   -0.021065   0.019794   0.135125  -0.031579   0.003789  -0.001262
    28  H   -0.000044  -0.000745   0.000300   0.000951  -0.000035  -0.000225
    29  C   -0.000629  -0.002955   0.000278   0.001061  -0.000416   0.000418
    30  H   -0.000205   0.000079   0.000014   0.000152   0.000027  -0.000039
    31  H   -0.000555  -0.000606   0.000083   0.000147  -0.000050  -0.000007
    32  H    0.000381   0.000168  -0.000015  -0.000027   0.000001   0.000055
    33  H   -0.000727  -0.000178   0.000085  -0.000099  -0.000038  -0.000002
              25         26         27         28         29         30
     1  C   -0.056730   0.056738  -0.097491   0.086002   0.214094   0.007676
     2  C   -0.019628   0.009568   0.149438   0.046449  -0.336776  -0.005516
     3  C    0.019232   0.007701   0.046592   0.346309  -0.414473  -0.028576
     4  C    0.006282  -0.031384   0.050005   0.743745  -0.482522  -0.089371
     5  C    0.163615   0.014590  -0.193886  -0.335313  -0.395221   0.006369
     6  C    0.121896  -0.160481   0.146764  -0.060585   0.293552   0.034871
     7  C   -0.201635   0.108249  -0.248774  -0.022092  -0.070488  -0.000385
     8  C    0.417796   0.070075  -0.121753   0.004839   0.002191   0.000111
     9  C   -0.002186   0.151598  -0.273299  -0.001966  -0.002866   0.000074
    10  C   -0.420185  -0.017603   0.564131  -0.002002  -0.002109  -0.000191
    11  C   -0.004377  -0.000121   0.003945  -2.377979   0.725479   0.225810
    12  C    0.001878  -0.001195  -0.001254   0.218713   0.088941  -0.203320
    13  O   -0.000042   0.000105   0.000396   0.057482  -0.015485  -0.024562
    14  O    0.000137  -0.000197   0.000377   0.073056   0.070114   0.284531
    15  H   -0.004100   0.000237   0.020723  -0.010374   0.015433   0.000223
    16  H    0.001207  -0.000725  -0.001380  -0.175450   0.020130  -0.001892
    17  H   -0.001884   0.001899  -0.003275  -0.015132  -0.036487   0.010760
    18  H   -0.006963   0.013914  -0.022594   0.000283   0.004494   0.001458
    19  H   -0.031141   0.032592  -0.021065  -0.000044  -0.000629  -0.000205
    20  H    0.031469  -0.021916   0.019794  -0.000745  -0.002955   0.000079
    21  H   -0.098515  -0.079905   0.135125   0.000300   0.000278   0.000014
    22  H    0.000530   0.001608  -0.031579   0.000951   0.001061   0.000152
    23  H    0.042789  -0.065823   0.003789  -0.000035  -0.000416   0.000027
    24  H   -0.024106   0.043081  -0.001262  -0.000225   0.000418  -0.000039
    25  H    2.359446  -0.607646  -0.350082  -0.000263  -0.000050   0.000069
    26  H   -0.607646   2.505119  -0.623720   0.000133  -0.000209  -0.000043
    27  H   -0.350082  -0.623720   2.043928  -0.000041   0.002256  -0.000224
    28  H   -0.000263   0.000133  -0.000041   2.990481   0.073836   0.007919
    29  C   -0.000050  -0.000209   0.002256   0.073836   4.806871  -0.021020
    30  H    0.000069  -0.000043  -0.000224   0.007919  -0.021020   0.636357
    31  H   -0.000267  -0.000024   0.000784   0.103504   0.558402  -0.008379
    32  H    0.000056  -0.000002   0.000108  -0.007332  -0.384578  -0.000863
    33  H    0.000024  -0.000065   0.000045  -0.022804  -0.059385   0.004056
              31         32         33
     1  C    0.113705  -0.079165   0.098923
     2  C   -0.170938   0.112335  -0.094707
     3  C   -0.018650  -0.112441   0.071746
     4  C   -0.262678   1.414976  -0.818812
     5  C   -0.395290   0.124679  -0.002730
     6  C    0.130374  -0.099158   0.112317
     7  C   -0.021091   0.005053  -0.014164
     8  C    0.001975  -0.000458   0.000708
     9  C   -0.000870   0.000141  -0.000385
    10  C   -0.000941   0.000079  -0.000368
    11  C    0.247445  -1.091583   0.777470
    12  C    0.039202  -0.037200  -0.015025
    13  O   -0.001373   0.010847  -0.000207
    14  O    0.027783   0.014604   0.015203
    15  H    0.003068  -0.001512   0.003451
    16  H   -0.006347   0.017766  -0.010104
    17  H   -0.130610   0.029943  -0.017688
    18  H    0.003762  -0.004332   0.003844
    19  H   -0.000555   0.000381  -0.000727
    20  H   -0.000606   0.000168  -0.000178
    21  H    0.000083  -0.000015   0.000085
    22  H    0.000147  -0.000027  -0.000099
    23  H   -0.000050   0.000001  -0.000038
    24  H   -0.000007   0.000055  -0.000002
    25  H   -0.000267   0.000056   0.000024
    26  H   -0.000024  -0.000002  -0.000065
    27  H    0.000784   0.000108   0.000045
    28  H    0.103504  -0.007332  -0.022804
    29  C    0.558402  -0.384578  -0.059385
    30  H   -0.008379  -0.000863   0.004056
    31  H    1.784932  -0.463684  -0.313372
    32  H   -0.463684   2.361299  -0.422378
    33  H   -0.313372  -0.422378   2.015929
 Mulliken charges:
               1
     1  C    0.773743
     2  C    0.839943
     3  C    1.040708
     4  C    0.203250
     5  C    1.136460
     6  C    0.664520
     7  C    1.784832
     8  C   -0.717138
     9  C    1.486535
    10  C    1.472388
    11  C    0.402215
    12  C    0.723070
    13  O   -0.588771
    14  O   -0.511186
    15  H   -1.220329
    16  H   -1.222257
    17  H   -1.185160
    18  H   -1.246798
    19  H   -0.599222
    20  H   -0.605037
    21  H   -0.633530
    22  H   -0.193290
    23  H   -0.402990
    24  H   -0.335425
    25  H   -0.336624
    26  H   -0.406149
    27  H   -0.196525
    28  H   -0.721619
    29  C    1.348120
    30  H    0.164030
    31  H   -0.219436
    32  H   -0.387762
    33  H   -0.310566
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.446585
     2  C    0.839943
     3  C   -0.181550
     4  C    0.203250
     5  C   -0.048701
     6  C   -0.582278
     7  C    0.580573
     8  C   -1.350668
     9  C    0.554831
    10  C    0.533089
    11  C   -0.319404
    12  C    0.723070
    13  O   -0.588771
    14  O   -0.347156
    29  C    0.430356
 Electronic spatial extent (au):  <R**2>=           4253.0382
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9093    Y=             -0.8086    Z=             -1.5807  Tot=              1.9948
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -88.3701   YY=            -92.0036   ZZ=            -94.1859
   XY=              1.6854   XZ=              5.4906   YZ=             -6.4898
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.1498   YY=             -0.4837   ZZ=             -2.6661
   XY=              1.6854   XZ=              5.4906   YZ=             -6.4898
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -17.5532  YYY=             28.3843  ZZZ=             -6.5668  XYY=            -18.2597
  XXY=             -4.0033  XXZ=            -20.5094  XZZ=              5.4374  YZZ=             -6.4454
  YYZ=             -5.8821  XYZ=             16.5423
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4295.4219 YYYY=           -741.4512 ZZZZ=           -650.7740 XXXY=            -27.4089
 XXXZ=             63.7345 YYYX=            -78.9441 YYYZ=            -26.5508 ZZZX=              5.0877
 ZZZY=            -22.0018 XXYY=           -811.7030 XXZZ=           -884.9755 YYZZ=           -248.2859
 XXYZ=            -59.5513 YYXZ=             42.5766 ZZXY=              3.4608
 N-N= 9.839090412237D+02 E-N=-3.495253662355D+03  KE= 6.529560061304D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:52:53 2021, MaxMem=  6442450944 cpu:               4.4 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.39577811D-01-2.87272771D-01-6.13776507D-01
 Polarizability= 1.98599416D+02-1.02311466D+00 1.29438191D+02
                -5.60187804D-01-6.77632298D+00 1.47115336D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3119    0.3082       -0.8587   -0.8579
 2     -0.3119   -0.3082        3.5115    3.5064      -38.7646  -38.7634
 3      0.8587    0.8579       29.5567   29.5563       -3.5078   -3.5064
 4     -3.5115   -3.5064       -0.0000    0.0000        0.8639    0.8579
 5      9.2079    9.2071       -0.8639   -0.8579        0.3070    0.3082
 6      3.5078    3.5064       -0.3070   -0.3082       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.9246   -0.9246       -2.5738   -2.5738
 2    -10.5193  -10.5193       -0.0000    0.0000       -2.5738   -2.5738
 3    -10.5193  -10.5193       -0.9246   -0.9246       -0.0000    0.0000
 4     -0.9246   -0.9246       10.5193   10.5193     -116.2902 -116.2902
 5      2.5738    2.5738       88.6688   88.6688      -10.5193  -10.5193
 6     27.6214   27.6214       -2.5738   -2.5738        0.9246    0.9246
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1406    0.0000       -1.1592   -1.2328        3.2825    3.4317
 2      1.1472    1.2328      -13.5257  -14.0257      155.2969  155.0536
 3     -3.4399   -3.4317     -117.8949 -118.2251       14.1598   14.0257
 4     14.1338   14.0257       -0.1175    0.0000       -3.6873   -3.4317
 5    -36.6963  -36.8285        3.3733    3.4317       -1.4375   -1.2328
 6    -14.0284  -14.0257        1.4675    1.2328       -0.0458    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2535    0.0000     -109.2510 -108.8691       -2.5560   -3.1439
 2    108.3724  108.8691       11.8845   12.4801        8.7149    8.5140
 3      2.9276    3.1439       35.4667   33.7647      -11.1804  -12.4801
 4    -12.5501  -12.4801       -0.7021    0.0000        2.9509    3.1439
 5    -42.2254  -42.2787       -2.4724   -3.1439     -108.8146 -108.8691
 6     12.9372   12.4801      109.7012  108.8691        0.2003    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.3323  -18.5723       -5.6833   -3.8528      -20.5273  -20.3352
 2    -34.4582  -34.4586      -86.4203  -85.0135      -20.4707  -20.3352
 3    -34.4596  -34.4586       -5.2840   -3.8528      -20.3102  -20.1164
 4     81.2369   81.1607       16.0984   15.8864       23.4607   23.0695
 5      0.4845    0.2188       38.3388   38.3233      -15.6367  -15.8864
 6    -61.5424  -61.3929       -0.4681   -0.2188      -81.2607  -81.1607
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0002    0.0006    0.0007    2.7454    3.6231    7.2845
 Low frequencies ---   21.9162   38.6948   48.0069
 Diagonal vibrational polarizability:
       34.3937459      29.8762995      10.2499969
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.8979                38.6888                48.0036
 Red. masses --      3.9123                 7.5997                 3.5819
 Frc consts  --      0.0011                 0.0067                 0.0049
 IR Inten    --      0.4615                 0.8274                 0.2989
 RamAct Fr= 1--      0.7116                 1.3299                 0.9339
  Dep-P Fr= 1--      0.7411                 0.6923                 0.7419
  Dep-U Fr= 1--      0.8513                 0.8182                 0.8519
 Alpha2 Fr= 1--      0.0001                 0.0013                 0.0001
 Beta2  Fr= 1--      0.1010                 0.1813                 0.1326
 AlphaG Fr= 1--     -0.0014                 0.0086                -0.0021
 Gamma2 Fr= 1--     -0.0564                -0.2894                -0.3719
 Delta2 Fr= 1--     -0.2716                 0.2150                -0.2466
 Raman1 Fr= 1--       2.846                  5.320                  3.736
 ROA1   Fr= 1--     -14.111                -20.901                -43.589
 CID1   Fr= 1--      -4.958                 -3.929                -11.669
 Raman2 Fr= 1--       1.212                  2.176                  1.591
 ROA2   Fr= 1--       0.818                 -8.665                 -6.952
 CID2   Fr= 1--       0.675                 -3.982                 -4.369
 Raman3 Fr= 1--       2.423                  4.352                  3.182
 ROA3   Fr= 1--     -14.111                -20.901                -43.589
 CID3   Fr= 1--      -5.824                 -4.802                -13.698
 RC180  Fr= 1--       0.703                  0.636                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.05    -0.01  -0.06  -0.02     0.02   0.09   0.01
     2   6     0.00  -0.03   0.05    -0.01  -0.06  -0.02     0.00  -0.02  -0.03
     3   6    -0.03   0.02   0.01    -0.01  -0.08  -0.03     0.02   0.09   0.02
     4   6    -0.01  -0.05  -0.04    -0.01  -0.10  -0.04     0.00  -0.02  -0.01
     5   6     0.02  -0.10  -0.04    -0.01  -0.12  -0.04    -0.02  -0.14  -0.05
     6   6     0.02  -0.10   0.00    -0.01  -0.10  -0.04    -0.02  -0.13  -0.06
     7   6     0.01  -0.02   0.09    -0.00   0.04   0.01     0.00   0.02  -0.05
     8   6    -0.03   0.03  -0.00    -0.11   0.10   0.06    -0.03   0.03  -0.02
     9   6    -0.10   0.18  -0.05    -0.16   0.06   0.06     0.11  -0.10   0.03
    10   6    -0.01  -0.06  -0.14    -0.20   0.09   0.08    -0.20   0.09   0.13
    11   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.03  -0.02   0.06     0.16   0.03  -0.01     0.03   0.01  -0.01
    13   8    -0.02  -0.12   0.11     0.51   0.12  -0.00    -0.11  -0.00  -0.02
    14   8     0.15   0.12   0.11    -0.08  -0.03  -0.02     0.20   0.04  -0.01
    15   1    -0.04   0.08   0.09    -0.01  -0.04  -0.01     0.04   0.17   0.03
    16   1    -0.05   0.07   0.01    -0.01  -0.07  -0.02     0.04   0.17   0.05
    17   1     0.04  -0.15  -0.07    -0.02  -0.14  -0.05    -0.03  -0.22  -0.08
    18   1     0.04  -0.15  -0.00    -0.01  -0.11  -0.04    -0.04  -0.21  -0.09
    19   1     0.04  -0.11   0.12     0.04   0.08   0.02    -0.01   0.06  -0.06
    20   1     0.01   0.05   0.18     0.05   0.07   0.01     0.03   0.01  -0.08
    21   1    -0.02   0.03   0.06    -0.09   0.19   0.06    -0.04   0.11  -0.15
    22   1    -0.11   0.18  -0.12    -0.18  -0.03   0.06     0.13  -0.17   0.16
    23   1    -0.12   0.21  -0.10    -0.23   0.10   0.09     0.10  -0.09   0.03
    24   1    -0.11   0.24   0.05    -0.10   0.07   0.05     0.23  -0.14  -0.08
    25   1     0.04  -0.17  -0.11    -0.17   0.13   0.08    -0.30   0.19   0.09
    26   1    -0.03  -0.03  -0.20    -0.27   0.14   0.11    -0.23   0.11   0.13
    27   1    -0.02  -0.06  -0.21    -0.22   0.00   0.08    -0.20   0.01   0.27
    28   1    -0.05  -0.12  -0.11    -0.01   0.01  -0.01     0.02   0.03   0.02
    29   6    -0.02   0.10  -0.16    -0.08   0.04  -0.00    -0.04   0.02   0.04
    30   1     0.18   0.11   0.19     0.08   0.01  -0.02     0.19   0.04  -0.03
    31   1    -0.01   0.20  -0.12    -0.06   0.01  -0.01    -0.06   0.01   0.04
    32   1    -0.02   0.11  -0.16    -0.07   0.13   0.01    -0.03   0.04   0.08
    33   1    -0.05   0.09  -0.27    -0.16   0.02   0.01    -0.05   0.01   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     60.6395                91.0160               116.7064
 Red. masses --      4.3923                 2.8783                 4.4344
 Frc consts  --      0.0095                 0.0140                 0.0356
 IR Inten    --      0.2323                 0.0469                 0.0204
 RamAct Fr= 1--      3.1645                 2.0089                 3.3171
  Dep-P Fr= 1--      0.7391                 0.7489                 0.6833
  Dep-U Fr= 1--      0.8500                 0.8564                 0.8119
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0039
 Beta2  Fr= 1--      0.4483                 0.2867                 0.4488
 AlphaG Fr= 1--     -0.0023                 0.0008                 0.0009
 Gamma2 Fr= 1--      0.4895                 0.4734                -0.4649
 Delta2 Fr= 1--      0.3874                 0.1548                -0.0562
 Raman1 Fr= 1--      12.658                  8.036                 13.268
 ROA1   Fr= 1--      59.385                 50.399                -46.431
 CID1   Fr= 1--       4.691                  6.272                 -3.499
 Raman2 Fr= 1--       5.379                  3.441                  5.386
 ROA2   Fr= 1--       8.648                 10.124                -10.709
 CID2   Fr= 1--       1.608                  2.942                 -1.988
 Raman3 Fr= 1--      10.759                  6.882                 10.772
 ROA3   Fr= 1--      59.385                 50.399                -46.431
 CID3   Fr= 1--       5.520                  7.324                 -4.310
 RC180  Fr= 1--       0.700                  0.713                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.20  -0.07     0.03   0.11  -0.04    -0.07   0.03   0.02
     2   6     0.02  -0.06  -0.04    -0.00   0.03  -0.08    -0.07   0.13   0.04
     3   6     0.03  -0.18  -0.04     0.04   0.11  -0.02    -0.09  -0.09  -0.01
     4   6     0.03  -0.02   0.03     0.00   0.00  -0.03    -0.10  -0.12  -0.01
     5   6     0.02   0.07   0.05    -0.03  -0.09  -0.08    -0.10  -0.02   0.02
     6   6     0.01   0.05   0.01    -0.03  -0.07  -0.10    -0.09   0.11   0.05
     7   6     0.02   0.01  -0.03     0.00   0.03  -0.07    -0.07   0.10   0.01
     8   6    -0.07   0.05   0.01     0.02  -0.02   0.07     0.06   0.02  -0.01
     9   6    -0.22   0.06  -0.00    -0.17  -0.03   0.06     0.15   0.03  -0.01
    10   6    -0.04   0.02  -0.03     0.20   0.01   0.04     0.18   0.06  -0.01
    11   6     0.04   0.04   0.08     0.01  -0.00   0.03    -0.10  -0.09   0.00
    12   6     0.04   0.04  -0.01     0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.12   0.06  -0.06    -0.01  -0.01   0.03     0.10  -0.01  -0.04
    14   8     0.24   0.02  -0.04     0.00  -0.01   0.03     0.20  -0.04  -0.03
    15   1     0.03  -0.30  -0.12     0.05   0.18  -0.03    -0.06   0.04   0.01
    16   1     0.04  -0.27  -0.06     0.07   0.18   0.02    -0.08  -0.16  -0.02
    17   1     0.01   0.18   0.10    -0.06  -0.17  -0.09    -0.11  -0.03   0.03
    18   1     0.00   0.14   0.04    -0.06  -0.13  -0.13    -0.09   0.18   0.07
    19   1     0.05   0.05  -0.04     0.02   0.13  -0.09    -0.12   0.09  -0.00
    20   1     0.05   0.02  -0.05    -0.03  -0.04  -0.14    -0.10   0.06  -0.02
    21   1    -0.04   0.09   0.11     0.03  -0.07   0.22     0.03  -0.10  -0.05
    22   1    -0.25   0.02  -0.10    -0.18   0.07  -0.09     0.19   0.13   0.03
    23   1    -0.27   0.09   0.04    -0.12  -0.11   0.17     0.25  -0.03  -0.03
    24   1    -0.24   0.09   0.04    -0.36  -0.08   0.10     0.10   0.00  -0.02
    25   1     0.06   0.01  -0.02     0.40   0.03   0.05     0.14   0.04  -0.01
    26   1    -0.09   0.05   0.01     0.17  -0.00   0.18     0.27  -0.00  -0.02
    27   1    -0.06  -0.01  -0.13     0.17   0.02  -0.15     0.21   0.17  -0.00
    28   1     0.06   0.11   0.11     0.06   0.01   0.04    -0.11  -0.06   0.01
    29   6    -0.01  -0.01   0.15    -0.04  -0.02   0.09    -0.18  -0.04   0.02
    30   1     0.20   0.02  -0.10    -0.01  -0.01   0.02     0.32  -0.01  -0.06
    31   1    -0.01  -0.08   0.13    -0.11  -0.04   0.07    -0.15  -0.08   0.01
    32   1    -0.00   0.04   0.17    -0.03  -0.03   0.15    -0.17   0.07   0.03
    33   1    -0.04  -0.01   0.22    -0.03  -0.02   0.08    -0.28  -0.06   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    162.9938               199.9986               232.8944
 Red. masses --      3.7665                 3.0282                 1.1623
 Frc consts  --      0.0590                 0.0714                 0.0371
 IR Inten    --      0.1605                 0.0179                 0.0103
 RamAct Fr= 1--      0.8304                 0.2984                 0.2670
  Dep-P Fr= 1--      0.1222                 0.3025                 0.7373
  Dep-U Fr= 1--      0.2178                 0.4644                 0.8488
 Alpha2 Fr= 1--      0.0138                 0.0030                 0.0001
 Beta2  Fr= 1--      0.0301                 0.0231                 0.0378
 AlphaG Fr= 1--     -0.0059                -0.0071                -0.0006
 Gamma2 Fr= 1--     -0.2393                 0.5376                 0.3255
 Delta2 Fr= 1--     -0.1745                 0.3447                 0.1481
 Raman1 Fr= 1--       3.322                  1.194                  1.068
 ROA1   Fr= 1--     -28.560                 62.642                 35.990
 CID1   Fr= 1--      -8.598                 52.474                 33.699
 Raman2 Fr= 1--       0.362                  0.277                  0.453
 ROA2   Fr= 1--      -4.348                 10.146                  6.628
 CID2   Fr= 1--     -12.021                 36.598                 14.624
 Raman3 Fr= 1--       0.723                  0.554                  0.906
 ROA3   Fr= 1--     -28.560                 62.642                 35.990
 CID3   Fr= 1--     -39.477                112.986                 39.704
 RC180  Fr= 1--      -0.564                 -0.071                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.09   0.06     0.04  -0.08   0.04     0.01   0.04   0.00
     2   6    -0.05   0.03   0.01     0.01  -0.05   0.02     0.01   0.02  -0.00
     3   6     0.02   0.10   0.12     0.03  -0.09   0.08     0.01   0.03  -0.00
     4   6    -0.00   0.05   0.11     0.00  -0.07   0.11     0.01  -0.00  -0.01
     5   6    -0.05   0.08   0.10    -0.02  -0.13   0.08     0.02   0.03  -0.00
     6   6    -0.07   0.08   0.05    -0.03  -0.11   0.04     0.02   0.04  -0.00
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.01  -0.02   0.00
     8   6    -0.07  -0.04  -0.05     0.02   0.05  -0.04    -0.00  -0.01   0.00
     9   6    -0.14  -0.10  -0.04     0.01  -0.01  -0.03    -0.02  -0.02   0.00
    10   6    -0.05  -0.01  -0.02     0.09   0.11  -0.00    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01    -0.01   0.02   0.03     0.01  -0.01  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.00     0.01  -0.02   0.00
    13   8     0.09  -0.01  -0.02    -0.07   0.06  -0.03    -0.00  -0.03   0.01
    14   8     0.13  -0.04  -0.02    -0.07  -0.02  -0.02     0.00  -0.02   0.00
    15   1     0.04   0.10   0.03     0.06  -0.07   0.02     0.01   0.05   0.00
    16   1     0.04   0.12   0.13     0.07  -0.10   0.10     0.01   0.04  -0.00
    17   1    -0.09   0.08   0.13    -0.04  -0.15   0.09     0.02   0.04  -0.00
    18   1    -0.10   0.07   0.04    -0.07  -0.12   0.02     0.02   0.05   0.00
    19   1    -0.15   0.05  -0.13    -0.06   0.15  -0.12     0.01  -0.02   0.00
    20   1    -0.05  -0.06  -0.17     0.10   0.03  -0.18    -0.01  -0.02   0.01
    21   1    -0.07  -0.04  -0.02     0.02   0.03  -0.04     0.00   0.00   0.01
    22   1    -0.13  -0.04  -0.09     0.03   0.09  -0.06    -0.04  -0.06  -0.00
    23   1    -0.09  -0.16   0.04     0.10  -0.09   0.03    -0.07   0.01   0.00
    24   1    -0.24  -0.16  -0.06    -0.10  -0.07  -0.07     0.01  -0.00   0.00
    25   1     0.01   0.04  -0.02     0.23   0.20  -0.00    -0.05  -0.05  -0.00
    26   1    -0.07  -0.01   0.05     0.04   0.11   0.15    -0.03  -0.02  -0.03
    27   1    -0.06  -0.03  -0.05     0.06   0.07  -0.11    -0.03  -0.04   0.02
    28   1    -0.11  -0.09  -0.02    -0.13  -0.01  -0.01     0.01  -0.01  -0.01
    29   6     0.18  -0.06  -0.14     0.03   0.15  -0.12    -0.04   0.01   0.01
    30   1     0.24  -0.01  -0.04    -0.13  -0.03  -0.05    -0.02  -0.03  -0.00
    31   1     0.27   0.02  -0.09     0.30   0.12  -0.08     0.37  -0.35  -0.04
    32   1     0.15  -0.19  -0.27     0.01   0.37  -0.34    -0.06   0.49  -0.30
    33   1     0.29  -0.04  -0.17    -0.18   0.10  -0.06    -0.46  -0.08   0.38
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.2536               255.2333               269.0494
 Red. masses --      1.0957                 2.4751                 1.0826
 Frc consts  --      0.0398                 0.0950                 0.0462
 IR Inten    --      0.0150                 0.1219                 0.4622
 RamAct Fr= 1--      0.2539                 0.8975                 0.6555
  Dep-P Fr= 1--      0.7430                 0.7499                 0.1519
  Dep-U Fr= 1--      0.8526                 0.8571                 0.2638
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0101
 Beta2  Fr= 1--      0.0361                 0.1282                 0.0288
 AlphaG Fr= 1--     -0.0020                 0.0001                 0.0035
 Gamma2 Fr= 1--     -0.2264                 0.2259                 0.0171
 Delta2 Fr= 1--     -0.0392                 0.2132                -0.0380
 Raman1 Fr= 1--       1.016                  3.590                  2.622
 ROA1   Fr= 1--     -22.994                 28.506                  0.424
 CID1   Fr= 1--     -22.643                  7.940                  0.162
 Raman2 Fr= 1--       0.433                  1.539                  0.346
 ROA2   Fr= 1--      -5.121                  3.715                  0.714
 CID2   Fr= 1--     -11.829                  2.415                  2.065
 Raman3 Fr= 1--       0.866                  3.077                  0.692
 ROA3   Fr= 1--     -22.994                 28.506                  0.424
 CID3   Fr= 1--     -26.558                  9.264                  0.614
 RC180  Fr= 1--       0.705                  0.714                 -0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.05  -0.06  -0.02     0.01   0.00  -0.01
     2   6     0.01  -0.00   0.02    -0.05  -0.04  -0.02     0.00  -0.00  -0.01
     3   6    -0.01  -0.00  -0.01    -0.04  -0.03  -0.01     0.01   0.00  -0.00
     4   6     0.00   0.00  -0.02    -0.02   0.02   0.00     0.01  -0.00  -0.00
     5   6     0.02   0.02  -0.01    -0.04  -0.04  -0.02     0.01   0.00  -0.00
     6   6     0.02   0.01   0.01    -0.05  -0.08  -0.03     0.01   0.00  -0.01
     7   6     0.00  -0.01   0.01    -0.04   0.02   0.01    -0.00  -0.01   0.00
     8   6    -0.00   0.00  -0.01    -0.02   0.02   0.01    -0.01  -0.01   0.01
     9   6     0.03   0.00  -0.01     0.05   0.05   0.01    -0.02   0.02  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.04   0.02    -0.02  -0.00   0.02
    11   6     0.00   0.00  -0.01    -0.01   0.04  -0.02     0.02  -0.00   0.01
    12   6     0.00  -0.00  -0.01    -0.02   0.05  -0.02     0.01  -0.01   0.01
    13   8     0.01  -0.02   0.00     0.02  -0.01   0.02    -0.01   0.00  -0.00
    14   8    -0.00   0.02   0.00    -0.00   0.16   0.03     0.00  -0.04  -0.00
    15   1    -0.02   0.00   0.02    -0.05  -0.08  -0.03     0.02   0.00  -0.01
    16   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.02     0.02   0.00  -0.00
    17   1     0.03   0.03  -0.01    -0.04  -0.04  -0.02     0.01   0.01  -0.00
    18   1     0.03   0.01   0.02    -0.04  -0.10  -0.04     0.01   0.01  -0.01
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.02     0.01  -0.01   0.00
    20   1     0.01   0.00   0.02    -0.03   0.03   0.02    -0.01  -0.01   0.01
    21   1    -0.00   0.01  -0.03    -0.03  -0.03  -0.01    -0.01  -0.01   0.00
    22   1     0.11   0.38  -0.07     0.08   0.20   0.02     0.06   0.43  -0.11
    23   1     0.34  -0.24   0.06     0.17  -0.03  -0.02     0.30  -0.23   0.07
    24   1    -0.33  -0.13  -0.02    -0.06   0.02   0.02    -0.41  -0.10   0.03
    25   1     0.33   0.13   0.01    -0.06   0.02   0.01    -0.40  -0.11   0.00
    26   1    -0.34   0.13   0.26     0.16  -0.03  -0.04     0.23  -0.12  -0.24
    27   1    -0.16  -0.30  -0.27     0.09   0.16   0.09     0.08   0.23   0.31
    28   1     0.02   0.01  -0.01    -0.03   0.10  -0.00     0.02  -0.02   0.00
    29   6    -0.02  -0.02   0.02     0.15  -0.17   0.02    -0.01   0.04  -0.00
    30   1    -0.00   0.01   0.02     0.02   0.15   0.11    -0.01  -0.04  -0.03
    31   1    -0.03  -0.05   0.00     0.40  -0.46  -0.04    -0.02   0.07   0.01
    32   1    -0.02   0.00   0.03     0.11  -0.11  -0.24    -0.00   0.05   0.02
    33   1    -0.03  -0.02   0.04     0.13  -0.16   0.37    -0.02   0.03  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    283.3657               335.0054               359.1586
 Red. masses --      3.3458                 3.7323                 3.0804
 Frc consts  --      0.1583                 0.2468                 0.2341
 IR Inten    --      0.2211                 0.9197                 0.4476
 RamAct Fr= 1--      0.7329                 1.6712                 2.1288
  Dep-P Fr= 1--      0.6963                 0.7499                 0.3714
  Dep-U Fr= 1--      0.8210                 0.8571                 0.5416
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0174
 Beta2  Fr= 1--      0.1003                 0.2387                 0.1922
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0067
 Gamma2 Fr= 1--     -0.6811                -0.0999                 0.9833
 Delta2 Fr= 1--     -0.0200                -0.8147                 0.5744
 Raman1 Fr= 1--       2.931                  6.685                  8.515
 ROA1   Fr= 1--     -66.026                -35.664                112.774
 CID1   Fr= 1--     -22.523                 -5.335                 13.244
 Raman2 Fr= 1--       1.203                  2.865                  2.306
 ROA2   Fr= 1--     -16.186                  4.120                 19.003
 CID2   Fr= 1--     -13.451                  1.438                  8.241
 Raman3 Fr= 1--       2.407                  5.730                  4.612
 ROA3   Fr= 1--     -66.026                -35.664                112.774
 CID3   Fr= 1--     -27.435                 -6.225                 24.451
 RC180  Fr= 1--       0.642                  0.714                  0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.13     0.11   0.08  -0.03     0.04  -0.04  -0.03
     2   6     0.05  -0.02   0.14     0.04   0.14  -0.04     0.01  -0.14  -0.07
     3   6    -0.02   0.01   0.03     0.10  -0.10   0.05     0.05   0.09   0.07
     4   6     0.02  -0.03  -0.02     0.01  -0.15   0.08    -0.00   0.05   0.08
     5   6     0.09  -0.01   0.02    -0.05  -0.10   0.07    -0.01   0.09   0.10
     6   6     0.10   0.00   0.12    -0.04   0.10   0.00    -0.03  -0.04  -0.00
     7   6     0.03   0.00  -0.05     0.04   0.06  -0.05     0.02  -0.08  -0.09
     8   6     0.00   0.03  -0.11     0.05  -0.02   0.08     0.01  -0.07   0.02
     9   6    -0.11  -0.13  -0.09     0.00  -0.00   0.08     0.03   0.17  -0.03
    10   6     0.03   0.11  -0.02    -0.08  -0.17  -0.04     0.02   0.00   0.13
    11   6     0.00   0.00  -0.09    -0.00  -0.01  -0.03    -0.04  -0.03  -0.04
    12   6     0.00   0.01  -0.08     0.01   0.04  -0.09    -0.02  -0.03  -0.07
    13   8     0.02  -0.08  -0.01    -0.01  -0.03  -0.04     0.04  -0.09  -0.02
    14   8    -0.04   0.14  -0.02    -0.06   0.18  -0.02    -0.01   0.06  -0.04
    15   1    -0.05   0.02   0.18     0.19   0.11  -0.07     0.07  -0.03  -0.04
    16   1    -0.08   0.03   0.02     0.18  -0.16   0.07     0.11   0.15   0.12
    17   1     0.14  -0.01  -0.02    -0.12  -0.15   0.11    -0.02   0.17   0.14
    18   1     0.16   0.01   0.15    -0.13   0.16  -0.02    -0.07  -0.02  -0.02
    19   1    -0.13   0.00  -0.08     0.03   0.20  -0.09     0.03   0.07  -0.13
    20   1     0.15   0.03  -0.10    -0.04  -0.07  -0.17     0.06  -0.15  -0.20
    21   1     0.01   0.06  -0.09     0.06   0.02   0.10     0.01  -0.08   0.02
    22   1    -0.14  -0.19  -0.17     0.00   0.03   0.05     0.03   0.22  -0.08
    23   1    -0.16  -0.14   0.09     0.02  -0.02   0.10     0.01   0.25  -0.29
    24   1    -0.16  -0.21  -0.17    -0.04  -0.01   0.09     0.08   0.35   0.18
    25   1    -0.15   0.15  -0.05    -0.16  -0.37  -0.01     0.00   0.17   0.09
    26   1     0.20   0.01  -0.06    -0.16  -0.06  -0.27     0.02  -0.03   0.26
    27   1     0.10   0.26   0.14    -0.10  -0.25  -0.01     0.02  -0.01   0.20
    28   1     0.01   0.08  -0.06    -0.11   0.09  -0.01    -0.09   0.01  -0.04
    29   6    -0.10  -0.07   0.05    -0.02  -0.03  -0.00    -0.12  -0.01  -0.01
    30   1    -0.07   0.12   0.11    -0.13   0.14   0.14     0.06   0.06   0.05
    31   1    -0.26  -0.13   0.00    -0.10  -0.00  -0.01    -0.19  -0.02  -0.03
    32   1    -0.08  -0.07   0.22    -0.01  -0.08   0.07    -0.09   0.04   0.09
    33   1    -0.08  -0.06   0.08     0.03  -0.02  -0.04    -0.17  -0.03  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    391.9542               406.6735               409.7655
 Red. masses --      2.5316                 2.8265                 2.4905
 Frc consts  --      0.2292                 0.2754                 0.2464
 IR Inten    --      0.7566                 0.5987                 0.7956
 RamAct Fr= 1--      2.3158                 4.8326                 1.4069
  Dep-P Fr= 1--      0.2626                 0.0921                 0.2110
  Dep-U Fr= 1--      0.4160                 0.1686                 0.3484
 Alpha2 Fr= 1--      0.0265                 0.0863                 0.0186
 Beta2  Fr= 1--      0.1606                 0.1358                 0.0817
 AlphaG Fr= 1--      0.0121                 0.0052                 0.0205
 Gamma2 Fr= 1--     -0.0660                -0.3014                 1.2030
 Delta2 Fr= 1--     -0.1617                -0.2875                 0.3303
 Raman1 Fr= 1--       9.263                 19.330                  5.628
 ROA1   Fr= 1--     -11.507                -38.141                126.059
 CID1   Fr= 1--      -1.242                 -1.973                 22.400
 Raman2 Fr= 1--       1.927                  1.630                  0.980
 ROA2   Fr= 1--      -0.289                 -4.934                 26.230
 CID2   Fr= 1--      -0.150                 -3.028                 26.755
 Raman3 Fr= 1--       3.854                  3.259                  1.961
 ROA3   Fr= 1--     -11.507                -38.141                126.059
 CID3   Fr= 1--      -2.986                -11.702                 64.289
 RC180  Fr= 1--      -0.168                 -0.663                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01     0.03  -0.01  -0.10     0.01  -0.05  -0.06
     2   6    -0.01   0.10   0.02     0.09  -0.02  -0.08    -0.06   0.00  -0.07
     3   6    -0.00  -0.07  -0.02     0.03   0.05   0.00     0.05   0.05   0.08
     4   6     0.00  -0.09  -0.04    -0.07   0.01   0.06     0.05  -0.02   0.06
     5   6    -0.01  -0.09  -0.04    -0.02  -0.02   0.06    -0.04  -0.04   0.01
     6   6     0.01   0.09   0.01     0.00   0.01  -0.01    -0.05   0.07  -0.05
     7   6    -0.02  -0.08   0.03     0.16  -0.04   0.10    -0.06  -0.04   0.13
     8   6     0.06  -0.12  -0.07     0.10   0.05  -0.04    -0.09   0.02  -0.03
     9   6    -0.05   0.06  -0.14    -0.03  -0.06  -0.03     0.00  -0.04  -0.01
    10   6    -0.01   0.01   0.15    -0.00   0.04  -0.01     0.03   0.07  -0.03
    11   6     0.03   0.01   0.02    -0.15  -0.04   0.01     0.08   0.01   0.00
    12   6     0.02   0.03   0.02    -0.10   0.01   0.03     0.07  -0.02  -0.07
    13   8    -0.03   0.05  -0.00     0.00   0.10   0.00     0.01  -0.12  -0.03
    14   8    -0.01   0.01   0.02     0.01   0.02   0.03    -0.02   0.04  -0.04
    15   1     0.02   0.08   0.00     0.02  -0.03  -0.10     0.09  -0.10  -0.14
    16   1    -0.01  -0.09  -0.04     0.14   0.06   0.06     0.09   0.12   0.12
    17   1    -0.03  -0.14  -0.05    -0.01  -0.02   0.05    -0.12  -0.10   0.06
    18   1     0.02   0.13   0.02    -0.10   0.07  -0.04    -0.07   0.15  -0.04
    19   1    -0.04  -0.24   0.06     0.32  -0.34   0.20     0.13  -0.38   0.26
    20   1    -0.13  -0.05   0.14     0.06   0.14   0.40    -0.18   0.16   0.48
    21   1     0.06  -0.12  -0.07     0.12   0.12  -0.02    -0.10  -0.02  -0.05
    22   1    -0.10   0.06  -0.33    -0.06  -0.07  -0.14     0.03  -0.04   0.10
    23   1    -0.15   0.16  -0.25    -0.05  -0.10   0.16     0.05  -0.09   0.02
    24   1    -0.09   0.21   0.07    -0.14  -0.14  -0.08     0.03  -0.11  -0.10
    25   1    -0.05   0.32   0.08    -0.06   0.07  -0.02     0.12   0.12  -0.02
    26   1    -0.06  -0.02   0.38    -0.03   0.07  -0.03     0.09   0.01   0.08
    27   1    -0.01  -0.10   0.30    -0.00  -0.02   0.07     0.04   0.16  -0.12
    28   1     0.03   0.01   0.02    -0.18  -0.08  -0.01     0.03   0.08   0.02
    29   6     0.06   0.00   0.01    -0.07  -0.09  -0.07     0.02   0.07   0.04
    30   1    -0.09  -0.01   0.01     0.25   0.08   0.02    -0.17  -0.00   0.03
    31   1     0.08   0.02   0.02    -0.01  -0.09  -0.06    -0.05   0.10   0.04
    32   1     0.05  -0.04  -0.03    -0.09  -0.15  -0.15     0.04   0.13   0.12
    33   1     0.10   0.02   0.01    -0.02  -0.08  -0.04    -0.04   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    423.5012               490.3380               559.2527
 Red. masses --      2.8423                 3.4755                 2.6828
 Frc consts  --      0.3004                 0.4923                 0.4944
 IR Inten    --      0.0991                 3.5355                20.3893
 RamAct Fr= 1--      0.0746                 0.9756                 0.1359
  Dep-P Fr= 1--      0.4536                 0.1776                 0.6837
  Dep-U Fr= 1--      0.6241                 0.3017                 0.8121
 Alpha2 Fr= 1--      0.0005                 0.0140                 0.0002
 Beta2  Fr= 1--      0.0078                 0.0491                 0.0184
 AlphaG Fr= 1--     -0.0086                 0.0012                -0.0005
 Gamma2 Fr= 1--     -0.0700                 0.0890                 0.0593
 Delta2 Fr= 1--     -0.0726                 0.0091                 0.0382
 Raman1 Fr= 1--       0.298                  3.903                  0.544
 ROA1   Fr= 1--      -9.039                  8.837                  6.913
 CID1   Fr= 1--     -30.300                  2.264                 12.715
 Raman2 Fr= 1--       0.093                  0.589                  0.221
 ROA2   Fr= 1--      -1.098                  2.063                  1.116
 CID2   Fr= 1--     -11.800                  3.504                  5.057
 Raman3 Fr= 1--       0.186                  1.177                  0.442
 ROA3   Fr= 1--      -9.039                  8.837                  6.913
 CID3   Fr= 1--     -48.549                  7.506                 15.656
 RC180  Fr= 1--       0.248                 -0.397                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.20   0.04    -0.07  -0.07  -0.03     0.07  -0.06   0.00
     2   6    -0.01   0.01  -0.03     0.00   0.11   0.04    -0.01   0.17   0.05
     3   6    -0.00  -0.19  -0.04    -0.07   0.00  -0.00     0.08  -0.04   0.04
     4   6     0.01  -0.01   0.03    -0.03   0.18   0.06     0.10   0.16   0.07
     5   6     0.01   0.18   0.08    -0.06  -0.00   0.01     0.06  -0.02  -0.01
     6   6    -0.04  -0.17  -0.09    -0.06  -0.08  -0.01     0.04  -0.03  -0.05
     7   6    -0.01  -0.02   0.06     0.06   0.09   0.03    -0.11   0.03   0.02
     8   6    -0.01   0.00  -0.02     0.22   0.02  -0.02    -0.07  -0.04  -0.01
     9   6    -0.01  -0.02  -0.01    -0.02  -0.02  -0.05    -0.01  -0.00  -0.02
    10   6     0.01   0.03   0.00    -0.01  -0.05   0.03    -0.00  -0.01   0.01
    11   6     0.01  -0.00   0.00     0.00   0.08   0.03     0.01  -0.02  -0.07
    12   6     0.01  -0.00  -0.02    -0.00  -0.03  -0.06    -0.07  -0.02   0.03
    13   8     0.00  -0.02  -0.01     0.05  -0.17   0.03    -0.00   0.06  -0.01
    14   8    -0.01   0.02  -0.01     0.01  -0.03  -0.07    -0.01  -0.01   0.03
    15   1     0.09   0.41   0.09    -0.12  -0.25  -0.08     0.11  -0.33  -0.15
    16   1    -0.00  -0.40  -0.10    -0.08  -0.14  -0.05     0.05  -0.32  -0.05
    17   1     0.00   0.39   0.17    -0.07  -0.15  -0.05    -0.01  -0.31  -0.07
    18   1    -0.09  -0.37  -0.16    -0.11  -0.26  -0.08     0.05  -0.33  -0.13
    19   1     0.07  -0.18   0.11    -0.00   0.06   0.02    -0.14  -0.01   0.02
    20   1    -0.06   0.07   0.21     0.00   0.06   0.01    -0.17   0.01   0.04
    21   1    -0.01  -0.00  -0.02     0.22   0.01  -0.02    -0.08  -0.09  -0.02
    22   1    -0.01  -0.04  -0.01    -0.11  -0.10  -0.34     0.01   0.02   0.04
    23   1    -0.02  -0.03   0.02    -0.16   0.02   0.15     0.02   0.00  -0.10
    24   1    -0.01  -0.04  -0.04    -0.17  -0.03   0.01     0.03   0.02  -0.00
    25   1     0.02   0.06  -0.00    -0.17  -0.03   0.01     0.03   0.02   0.01
    26   1     0.04   0.00   0.04    -0.18   0.10  -0.08     0.04  -0.06   0.08
    27   1     0.02   0.05  -0.00    -0.05  -0.29   0.22     0.01   0.04  -0.02
    28   1    -0.01   0.02   0.01    -0.01   0.13   0.05     0.02  -0.11  -0.10
    29   6    -0.00   0.01   0.01     0.04   0.09   0.06    -0.08  -0.06  -0.06
    30   1    -0.04   0.01   0.02     0.06  -0.01  -0.12     0.37   0.08   0.04
    31   1    -0.01   0.03   0.01     0.04   0.10   0.06    -0.19  -0.14  -0.11
    32   1     0.00   0.02   0.03     0.04   0.10   0.06    -0.05   0.03   0.07
    33   1    -0.01   0.01  -0.01     0.02   0.08   0.05    -0.17  -0.08  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    585.9070               611.1952               639.8066
 Red. masses --      1.7350                 2.7718                 2.1868
 Frc consts  --      0.3509                 0.6101                 0.5274
 IR Inten    --     53.6677                39.0599                41.5169
 RamAct Fr= 1--      1.6593                 0.9743                 1.9729
  Dep-P Fr= 1--      0.3596                 0.3677                 0.5760
  Dep-U Fr= 1--      0.5290                 0.5377                 0.7310
 Alpha2 Fr= 1--      0.0141                 0.0081                 0.0065
 Beta2  Fr= 1--      0.1463                 0.0873                 0.2404
 AlphaG Fr= 1--     -0.0182                -0.0146                 0.0191
 Gamma2 Fr= 1--     -0.1210                 0.1308                -0.3858
 Delta2 Fr= 1--     -0.0279                 0.3232                -0.4925
 Raman1 Fr= 1--       6.637                  3.897                  7.891
 ROA1   Fr= 1--     -12.505                 22.899                -52.794
 CID1   Fr= 1--      -1.884                  5.876                 -6.690
 Raman2 Fr= 1--       1.756                  1.048                  2.884
 ROA2   Fr= 1--      -2.679                  0.553                 -5.319
 CID2   Fr= 1--      -1.526                  0.528                 -1.844
 Raman3 Fr= 1--       3.511                  2.095                  5.768
 ROA3   Fr= 1--     -12.505                 22.899                -52.794
 CID3   Fr= 1--      -3.561                 10.928                 -9.152
 RC180  Fr= 1--       0.058                  0.075                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.00    -0.00   0.06  -0.04    -0.05  -0.01   0.00
     2   6     0.04   0.00   0.01     0.06   0.04  -0.02    -0.07  -0.06  -0.05
     3   6     0.00  -0.03  -0.05    -0.02  -0.05  -0.00    -0.03  -0.02   0.11
     4   6    -0.03  -0.00  -0.01    -0.04   0.04   0.05     0.05  -0.10  -0.00
     5   6     0.01  -0.04  -0.01     0.04  -0.07   0.06     0.05   0.00   0.03
     6   6     0.03   0.03   0.03     0.04   0.04   0.01     0.02   0.01  -0.08
     7   6     0.02  -0.05  -0.02     0.04  -0.07  -0.03    -0.05   0.06   0.02
     8   6    -0.07  -0.02   0.00    -0.09  -0.02   0.00     0.07   0.02  -0.00
     9   6    -0.00   0.01   0.01    -0.00   0.01   0.02     0.01  -0.00  -0.02
    10   6    -0.00   0.01  -0.01    -0.01   0.02  -0.01     0.01  -0.01   0.01
    11   6    -0.05   0.03   0.08    -0.08   0.14  -0.08     0.06   0.07  -0.11
    12   6    -0.10  -0.02  -0.03     0.01   0.12   0.03     0.01   0.07   0.03
    13   8     0.02  -0.07   0.01     0.02  -0.07   0.16    -0.03   0.00   0.08
    14   8    -0.05   0.01  -0.05     0.06  -0.08  -0.09    -0.05  -0.06  -0.03
    15   1    -0.01   0.06   0.03    -0.01  -0.00  -0.06     0.06   0.18   0.01
    16   1     0.02  -0.06  -0.05     0.04  -0.17  -0.01    -0.02   0.19   0.17
    17   1     0.05  -0.07  -0.05     0.04  -0.18   0.01    -0.02   0.18   0.15
    18   1     0.02   0.04   0.03    -0.03  -0.01  -0.03     0.05   0.19  -0.02
    19   1     0.02  -0.03  -0.02     0.05  -0.05  -0.03    -0.03   0.07   0.02
    20   1     0.04  -0.05  -0.02     0.04  -0.06  -0.02    -0.05   0.05   0.00
    21   1    -0.06   0.03   0.02    -0.07   0.05   0.03     0.05  -0.06  -0.02
    22   1     0.03   0.05   0.12     0.04   0.06   0.15    -0.03  -0.05  -0.13
    23   1     0.05  -0.01  -0.08     0.07  -0.01  -0.10    -0.06   0.01   0.09
    24   1     0.05   0.02   0.00     0.06   0.02   0.01    -0.05  -0.02  -0.01
    25   1     0.05   0.02  -0.00     0.06   0.03  -0.00    -0.05  -0.03   0.00
    26   1     0.07  -0.05   0.04     0.08  -0.07   0.06    -0.08   0.06  -0.05
    27   1     0.01   0.11  -0.07     0.02   0.14  -0.08    -0.01  -0.13   0.07
    28   1    -0.02   0.08   0.10    -0.14   0.15  -0.09     0.02   0.02  -0.13
    29   6     0.05   0.06   0.06    -0.03  -0.02  -0.03    -0.01  -0.01  -0.02
    30   1     0.84   0.23  -0.05    -0.47  -0.15  -0.50     0.65   0.14  -0.24
    31   1     0.15   0.14   0.10    -0.09  -0.18  -0.10    -0.14  -0.18  -0.10
    32   1     0.02   0.04  -0.06    -0.04  -0.17  -0.01     0.02  -0.03   0.12
    33   1     0.06   0.07  -0.00     0.14   0.04   0.16     0.03   0.01   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2814               713.8231               759.0098
 Red. masses --      5.5491                 3.0614                 4.0402
 Frc consts  --      1.4384                 0.9191                 1.3713
 IR Inten    --      6.2423                19.8792                11.9231
 RamAct Fr= 1--      5.7489                 0.6457                 4.4818
  Dep-P Fr= 1--      0.5911                 0.2140                 0.0214
  Dep-U Fr= 1--      0.7430                 0.3525                 0.0418
 Alpha2 Fr= 1--      0.0170                 0.0084                 0.0947
 Beta2  Fr= 1--      0.7119                 0.0379                 0.0312
 AlphaG Fr= 1--     -0.0572                -0.0041                -0.0565
 Gamma2 Fr= 1--     -0.1229                -0.1609                -0.8676
 Delta2 Fr= 1--     -0.0978                 0.1034                -0.0408
 Raman1 Fr= 1--      22.996                  2.583                 17.927
 ROA1   Fr= 1--     -14.927                -12.134                -84.591
 CID1   Fr= 1--      -0.649                 -4.698                 -4.719
 Raman2 Fr= 1--       8.543                  0.455                  0.375
 ROA2   Fr= 1--      -2.167                 -4.689                -20.495
 CID2   Fr= 1--      -0.254                -10.300                -54.666
 Raman3 Fr= 1--      17.086                  0.910                  0.750
 ROA3   Fr= 1--     -14.927                -12.134                -84.591
 CID3   Fr= 1--      -0.874                -13.328               -112.812
 RC180  Fr= 1--       0.486                 -0.295                 -0.916
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27  -0.09   0.15     0.06  -0.07  -0.02    -0.03  -0.07  -0.12
     2   6    -0.02  -0.05   0.08    -0.02   0.03   0.01     0.10   0.20   0.06
     3   6     0.24   0.03  -0.16     0.07   0.03  -0.01    -0.00   0.15  -0.04
     4   6     0.01  -0.00  -0.10    -0.00  -0.09  -0.03    -0.09  -0.18  -0.05
     5   6    -0.24   0.08  -0.13     0.11   0.03  -0.01     0.01   0.10   0.11
     6   6    -0.22  -0.04   0.17     0.10  -0.06  -0.07    -0.01  -0.13   0.05
     7   6    -0.03   0.02   0.04    -0.13   0.15   0.07     0.04   0.04   0.01
     8   6     0.02   0.01  -0.00    -0.03  -0.01  -0.00    -0.09  -0.03  -0.00
     9   6    -0.00  -0.01  -0.01    -0.00  -0.02  -0.07    -0.02  -0.01  -0.04
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.04    -0.01  -0.04   0.03
    11   6     0.01   0.06  -0.07    -0.13  -0.02   0.12     0.00   0.00  -0.00
    12   6     0.00   0.09   0.03    -0.14   0.01  -0.01     0.24   0.06   0.00
    13   8    -0.01  -0.02   0.10     0.05  -0.03   0.05    -0.07  -0.01  -0.01
    14   8    -0.01  -0.03  -0.06     0.04   0.04  -0.08    -0.07  -0.03   0.02
    15   1     0.23  -0.01   0.21     0.12   0.08  -0.01    -0.15  -0.36  -0.15
    16   1     0.14   0.14  -0.17     0.14   0.28   0.09     0.08   0.22   0.01
    17   1    -0.18   0.17  -0.14     0.18   0.29   0.04     0.10   0.19   0.09
    18   1    -0.10   0.00   0.24     0.19   0.07   0.01    -0.12  -0.39  -0.07
    19   1     0.03  -0.11   0.09    -0.15   0.16   0.06    -0.00   0.04  -0.00
    20   1    -0.06   0.09   0.16    -0.13   0.14   0.04     0.01   0.03   0.02
    21   1     0.01  -0.04  -0.01    -0.07  -0.17  -0.05    -0.06   0.05   0.02
    22   1    -0.01  -0.02  -0.04    -0.01  -0.04  -0.10     0.03   0.05   0.10
    23   1    -0.03   0.00   0.03    -0.03  -0.01  -0.06     0.07  -0.03  -0.19
    24   1    -0.02  -0.01  -0.01    -0.01  -0.02  -0.07     0.06   0.01  -0.05
    25   1    -0.02  -0.01   0.01     0.00  -0.06   0.04     0.07  -0.02   0.03
    26   1    -0.02   0.02  -0.01    -0.01  -0.04   0.04     0.10  -0.14   0.11
    27   1    -0.00  -0.05   0.04     0.00  -0.09   0.05     0.02   0.10  -0.06
    28   1    -0.01   0.03  -0.09    -0.09   0.06   0.16    -0.05   0.05   0.00
    29   6    -0.03  -0.03  -0.05    -0.02   0.00   0.02    -0.00  -0.01  -0.01
    30   1     0.17   0.04  -0.33    -0.35  -0.04  -0.18     0.31   0.07   0.04
    31   1    -0.11  -0.16  -0.11     0.21   0.19   0.13     0.03  -0.05  -0.01
    32   1    -0.02  -0.07   0.02    -0.07  -0.09  -0.24    -0.02  -0.11  -0.05
    33   1     0.03  -0.01   0.07     0.05   0.01  -0.12     0.11   0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --    784.9324               821.1100               828.5640
 Red. masses --      3.0882                 3.4242                 2.7460
 Frc consts  --      1.1210                 1.3602                 1.1107
 IR Inten    --      1.9497                 5.4405                 1.3701
 RamAct Fr= 1--     37.0640                 6.2156                 7.2971
  Dep-P Fr= 1--      0.0209                 0.1384                 0.2184
  Dep-U Fr= 1--      0.0409                 0.2432                 0.3585
 Alpha2 Fr= 1--      0.7844                 0.0989                 0.0943
 Beta2  Fr= 1--      0.2525                 0.2519                 0.4360
 AlphaG Fr= 1--      0.0534                 0.0175                 0.1087
 Gamma2 Fr= 1--     -2.1022                -0.3719                 1.8419
 Delta2 Fr= 1--     -0.0030                 0.1873                 0.1955
 Raman1 Fr= 1--     148.256                 24.862                 29.188
 ROA1   Fr= 1--    -201.905                -29.707                183.083
 CID1   Fr= 1--      -1.362                 -1.195                  6.272
 Raman2 Fr= 1--       3.030                  3.023                  5.232
 ROA2   Fr= 1--     -50.428                -10.424                 42.642
 CID2   Fr= 1--     -16.643                 -3.448                  8.150
 Raman3 Fr= 1--       6.060                  6.046                 10.464
 ROA3   Fr= 1--    -201.905                -29.707                183.083
 CID3   Fr= 1--     -33.318                 -4.914                 17.496
 RC180  Fr= 1--      -0.918                 -0.514                 -0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04  -0.05     0.01   0.07   0.03    -0.05   0.01   0.05
     2   6     0.04  -0.09  -0.04    -0.03  -0.15  -0.04     0.01   0.00   0.00
     3   6    -0.01  -0.04  -0.08     0.01   0.01  -0.02    -0.06   0.02   0.08
     4   6    -0.03   0.11   0.04    -0.00   0.09   0.04     0.04  -0.04  -0.02
     5   6    -0.01  -0.08   0.05     0.03  -0.00  -0.03    -0.06   0.05  -0.04
     6   6    -0.01  -0.00   0.08     0.05   0.07  -0.01    -0.04   0.02  -0.04
     7   6     0.03   0.19   0.06    -0.06   0.04   0.03     0.15   0.04   0.00
     8   6    -0.11   0.01   0.02     0.01   0.03   0.01    -0.07   0.03   0.02
     9   6    -0.01  -0.04  -0.16     0.01   0.00  -0.03    -0.02  -0.02  -0.10
    10   6     0.02  -0.13   0.10     0.02  -0.01   0.02     0.00  -0.08   0.07
    11   6     0.01   0.06  -0.06    -0.06  -0.07   0.14     0.11  -0.13   0.02
    12   6     0.03  -0.05  -0.02     0.28   0.10   0.01    -0.09   0.05   0.04
    13   8    -0.00  -0.00  -0.06    -0.07  -0.03   0.03     0.01   0.03   0.09
    14   8     0.00  -0.03   0.08    -0.07   0.02  -0.06     0.00   0.06  -0.11
    15   1    -0.02   0.35   0.10     0.00  -0.06  -0.02    -0.08  -0.20  -0.02
    16   1     0.06   0.05  -0.02    -0.03  -0.43  -0.16    -0.17  -0.17  -0.02
    17   1     0.05  -0.01   0.04     0.02  -0.34  -0.17    -0.15  -0.06  -0.02
    18   1    -0.06   0.31   0.15     0.09  -0.03  -0.02    -0.06  -0.10  -0.08
    19   1     0.14   0.22   0.08    -0.02   0.11   0.03     0.22   0.10   0.00
    20   1     0.12   0.24   0.08     0.02   0.05  -0.01     0.23   0.08   0.00
    21   1    -0.12  -0.04   0.00    -0.02  -0.10  -0.04    -0.03   0.18   0.06
    22   1     0.03  -0.01  -0.02    -0.02  -0.05  -0.10     0.04   0.02   0.07
    23   1     0.06  -0.07  -0.24    -0.04   0.01   0.07     0.08  -0.06  -0.19
    24   1     0.07  -0.06  -0.23    -0.03  -0.04  -0.06     0.08  -0.05  -0.19
    25   1     0.10  -0.19   0.13    -0.02  -0.06   0.02     0.11  -0.15   0.10
    26   1     0.10  -0.20   0.13    -0.04   0.04  -0.04     0.12  -0.17   0.10
    27   1     0.03  -0.02   0.01    -0.00  -0.09   0.04     0.03   0.07  -0.05
    28   1    -0.02   0.02  -0.09    -0.06   0.08   0.20     0.17  -0.16   0.02
    29   6     0.01   0.03  -0.01    -0.09  -0.09  -0.04     0.03  -0.04   0.00
    30   1     0.03  -0.04   0.21     0.17   0.08  -0.09    -0.05   0.07  -0.28
    31   1    -0.11  -0.12  -0.08     0.16   0.14   0.07    -0.01   0.13   0.05
    32   1     0.04   0.02   0.13    -0.14  -0.15  -0.32     0.06   0.20   0.08
    33   1     0.04   0.04   0.14    -0.03  -0.08  -0.23    -0.23  -0.13  -0.23
                     31                     32                     33
                      A                      A                      A
 Frequencies --    854.5503               855.6650               869.2262
 Red. masses --      1.2587                 3.3831                 1.9374
 Frc consts  --      0.5416                 1.4594                 0.8624
 IR Inten    --      0.1947                 4.2752                27.3025
 RamAct Fr= 1--      1.4284                10.6125                 3.1376
  Dep-P Fr= 1--      0.5935                 0.1431                 0.0601
  Dep-U Fr= 1--      0.7449                 0.2504                 0.1134
 Alpha2 Fr= 1--      0.0042                 0.1669                 0.0605
 Beta2  Fr= 1--      0.1773                 0.4428                 0.0593
 AlphaG Fr= 1--     -0.0276                -0.1214                 0.0181
 Gamma2 Fr= 1--      0.0274                 1.3908                 0.0375
 Delta2 Fr= 1--      0.1002                 0.1027                 0.0342
 Raman1 Fr= 1--       5.713                 42.450                 12.550
 ROA1   Fr= 1--       5.841                136.803                  4.692
 CID1   Fr= 1--       1.022                  3.223                  0.374
 Raman2 Fr= 1--       2.128                  5.314                  0.712
 ROA2   Fr= 1--      -0.143                 32.557                  0.626
 CID2   Fr= 1--      -0.067                  6.126                  0.880
 Raman3 Fr= 1--       4.256                 10.628                  1.423
 ROA3   Fr= 1--       5.841                136.803                  4.692
 CID3   Fr= 1--       1.372                 12.872                  3.297
 RC180  Fr= 1--       0.490                 -0.499                 -0.773
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.05   0.06  -0.15    -0.03  -0.06  -0.02
     2   6    -0.00   0.01   0.00     0.03  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.01  -0.08  -0.02     0.01   0.05  -0.16    -0.02  -0.07  -0.01
     4   6     0.00   0.01   0.01    -0.04   0.01   0.01     0.03   0.12   0.04
     5   6     0.00   0.07   0.01     0.05  -0.05   0.17    -0.02  -0.08  -0.04
     6   6     0.00   0.07   0.01    -0.01  -0.04   0.16    -0.01  -0.07  -0.03
     7   6     0.01  -0.01   0.01    -0.13   0.01   0.02     0.05  -0.03  -0.00
     8   6    -0.00  -0.00   0.00     0.03  -0.02  -0.01    -0.00  -0.04  -0.01
     9   6     0.00  -0.00  -0.00     0.02   0.01   0.05    -0.01  -0.01   0.03
    10   6    -0.00   0.00   0.00     0.01   0.04  -0.04    -0.02   0.02  -0.03
    11   6     0.00  -0.01   0.01     0.14  -0.12  -0.03     0.03  -0.04   0.06
    12   6     0.01   0.01  -0.00    -0.06   0.04   0.04     0.07   0.03   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.03   0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.00  -0.01     0.00   0.05  -0.08    -0.02   0.02  -0.04
    15   1     0.05   0.45   0.16    -0.16   0.11  -0.06     0.01   0.36   0.13
    16   1     0.05   0.51   0.17     0.14  -0.02  -0.13     0.01   0.35   0.12
    17   1    -0.07  -0.45  -0.16     0.15  -0.14   0.06     0.02   0.45   0.15
    18   1    -0.05  -0.43  -0.15    -0.14  -0.01   0.12     0.05   0.49   0.15
    19   1    -0.00   0.03  -0.00    -0.16  -0.00   0.02    -0.03  -0.03  -0.02
    20   1     0.02  -0.03  -0.02    -0.16  -0.01   0.01    -0.01  -0.08  -0.04
    21   1     0.00   0.02  -0.00    -0.02  -0.20  -0.07     0.02   0.07   0.01
    22   1     0.00   0.00  -0.01    -0.03  -0.03  -0.09     0.01   0.04   0.06
    23   1    -0.00  -0.00  -0.00    -0.07   0.04   0.13     0.02  -0.00  -0.06
    24   1     0.00  -0.00  -0.00    -0.06   0.02   0.10     0.02   0.04   0.08
    25   1     0.01  -0.00   0.00    -0.08   0.08  -0.05     0.01   0.09  -0.04
    26   1     0.01  -0.01   0.01    -0.08   0.11  -0.06     0.04  -0.04   0.05
    27   1     0.00   0.02  -0.02    -0.01  -0.08   0.05     0.00   0.09  -0.03
    28   1     0.00  -0.01   0.01     0.20  -0.21  -0.04     0.06  -0.01   0.07
    29   6    -0.00  -0.01  -0.00     0.06  -0.04   0.00    -0.04  -0.06  -0.04
    30   1    -0.00   0.00  -0.01    -0.02   0.06  -0.22     0.03   0.03  -0.05
    31   1     0.00   0.01   0.00    -0.11   0.08   0.01     0.01   0.07   0.02
    32   1    -0.00   0.01  -0.02     0.13   0.28   0.25    -0.03   0.04  -0.06
    33   1    -0.02  -0.02  -0.03    -0.28  -0.14  -0.18    -0.14  -0.10  -0.19
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7205               942.8584               959.9284
 Red. masses --      1.5476                 1.2135                 1.6132
 Frc consts  --      0.7397                 0.6356                 0.8758
 IR Inten    --      0.3037                 0.2999                 0.0102
 RamAct Fr= 1--      0.5067                 0.3899                 7.1140
  Dep-P Fr= 1--      0.6984                 0.7500                 0.7445
  Dep-U Fr= 1--      0.8224                 0.8571                 0.8535
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0695                 0.0557                 1.0120
 AlphaG Fr= 1--     -0.0014                -0.0001                 0.0064
 Gamma2 Fr= 1--      0.1672                -0.0429                -0.6627
 Delta2 Fr= 1--      0.1459                -0.0170                -1.1229
 Raman1 Fr= 1--       2.027                  1.560                 28.456
 ROA1   Fr= 1--      20.720                 -4.666                -99.552
 CID1   Fr= 1--      10.224                 -2.991                 -3.498
 Raman2 Fr= 1--       0.833                  0.668                 12.144
 ROA2   Fr= 1--       2.846                 -0.894                 -6.922
 CID2   Fr= 1--       3.415                 -1.338                 -0.570
 Raman3 Fr= 1--       1.667                  1.337                 24.288
 ROA3   Fr= 1--      20.720                 -4.666                -99.552
 CID3   Fr= 1--      12.431                 -3.490                 -4.099
 RC180  Fr= 1--       0.645                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.09   0.02
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.09  -0.05
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.01   0.03   0.01
     5   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     6   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00   0.00   0.02
     7   6     0.02  -0.06   0.17    -0.01   0.02  -0.07    -0.05  -0.09  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.10   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.07
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.07
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.07  -0.52  -0.19
    16   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.08   0.54   0.16
    17   1    -0.06   0.03   0.03     0.03  -0.01  -0.01     0.04   0.16   0.07
    18   1    -0.03   0.02  -0.04     0.01  -0.00   0.02    -0.01  -0.08  -0.01
    19   1    -0.17   0.49  -0.00     0.08  -0.19   0.01    -0.06  -0.07  -0.03
    20   1     0.13  -0.37  -0.34    -0.07   0.14   0.14    -0.05  -0.08  -0.02
    21   1    -0.02   0.07  -0.21    -0.03   0.10  -0.27     0.01   0.11   0.04
    22   1    -0.05  -0.10  -0.33    -0.02   0.05  -0.37    -0.01  -0.08  -0.00
    23   1    -0.11   0.04   0.14    -0.11   0.10  -0.15     0.01  -0.02   0.15
    24   1    -0.13  -0.03   0.01    -0.13   0.18   0.40     0.01  -0.12  -0.28
    25   1     0.13   0.02   0.00     0.19  -0.38   0.17     0.06  -0.25   0.13
    26   1     0.13  -0.11   0.06     0.08   0.02  -0.20    -0.02   0.07  -0.12
    27   1    -0.01   0.28  -0.20    -0.05   0.19  -0.32    -0.01  -0.06  -0.04
    28   1    -0.03  -0.01  -0.02     0.01   0.01   0.01     0.04   0.03   0.02
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
    31   1    -0.03  -0.03  -0.02     0.01   0.01   0.01     0.00   0.02   0.00
    32   1     0.01   0.00   0.03    -0.00  -0.00  -0.01    -0.01   0.00  -0.03
    33   1     0.01   0.01   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.3998               973.7083               978.8127
 Red. masses --      1.5415                 1.5742                 1.4959
 Frc consts  --      0.8535                 0.8794                 0.8444
 IR Inten    --      0.1208                 0.0218                 0.0794
 RamAct Fr= 1--      2.8582                 2.9134                 0.9511
  Dep-P Fr= 1--      0.7374                 0.7484                 0.6628
  Dep-U Fr= 1--      0.8489                 0.8561                 0.7972
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0015
 Beta2  Fr= 1--      0.4044                 0.4157                 0.1264
 AlphaG Fr= 1--      0.0133                -0.0006                 0.0006
 Gamma2 Fr= 1--     -1.6633                -0.0786                 1.5778
 Delta2 Fr= 1--      0.5171                 0.0105                 0.2467
 Raman1 Fr= 1--      11.433                 11.654                  3.804
 ROA1   Fr= 1--    -143.130                 -7.209                159.362
 CID1   Fr= 1--     -12.519                 -0.619                 41.888
 Raman2 Fr= 1--       4.852                  4.988                  1.517
 ROA2   Fr= 1--     -44.056                 -1.970                 35.894
 CID2   Fr= 1--      -9.079                 -0.395                 23.669
 Raman3 Fr= 1--       9.705                  9.977                  3.033
 ROA3   Fr= 1--    -143.130                 -7.209                159.362
 CID3   Fr= 1--     -14.748                 -0.723                 52.542
 RC180  Fr= 1--       0.698                  0.712                  0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09  -0.04    -0.00  -0.01   0.00     0.00  -0.03  -0.01
     2   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.04   0.02
     3   6     0.02   0.07   0.01    -0.00   0.01   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.00  -0.08  -0.01     0.01  -0.00   0.00     0.02   0.09   0.04
     6   6     0.01   0.06   0.03     0.00  -0.00   0.01    -0.01  -0.10  -0.04
     7   6    -0.04  -0.08  -0.02    -0.01   0.01  -0.05    -0.02  -0.07  -0.02
     8   6     0.01   0.08   0.03    -0.01   0.04  -0.10     0.01   0.06   0.03
     9   6    -0.00   0.02  -0.06     0.04   0.09   0.08    -0.00   0.03  -0.05
    10   6     0.02   0.00   0.06    -0.03  -0.13   0.03     0.01   0.00   0.05
    11   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.05   0.49   0.16     0.00   0.05   0.03     0.03   0.18   0.06
    16   1    -0.02  -0.37  -0.13    -0.02  -0.03  -0.01    -0.00  -0.13  -0.05
    17   1     0.06   0.38   0.15     0.02   0.01  -0.00    -0.04  -0.53  -0.19
    18   1    -0.04  -0.36  -0.11     0.00  -0.01   0.01     0.08   0.60   0.19
    19   1    -0.07  -0.08  -0.03     0.01  -0.12  -0.02    -0.08  -0.09  -0.03
    20   1    -0.07  -0.09  -0.02    -0.02   0.09   0.06    -0.08  -0.10  -0.03
    21   1     0.02   0.12   0.07    -0.03   0.14  -0.34     0.03   0.14   0.06
    22   1     0.01  -0.04   0.03    -0.07  -0.15  -0.10     0.00  -0.04   0.04
    23   1     0.02  -0.03   0.07    -0.13   0.08   0.55     0.02  -0.03   0.07
    24   1     0.04  -0.09  -0.22    -0.13  -0.11  -0.09     0.03  -0.08  -0.20
    25   1     0.04  -0.24   0.12     0.13   0.11  -0.01     0.06  -0.19   0.09
    26   1    -0.02   0.08  -0.14     0.22  -0.38   0.33    -0.01   0.05  -0.10
    27   1    -0.01  -0.05  -0.05     0.05   0.18  -0.01    -0.01  -0.01  -0.05
    28   1     0.01   0.02   0.01     0.01   0.01   0.00    -0.04  -0.04  -0.02
    29   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.01
    31   1     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.02  -0.00
    32   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.00   0.03
    33   1     0.00   0.00  -0.01     0.00  -0.00  -0.01     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.9003              1045.4931              1059.8352
 Red. masses --      1.9434                 2.8868                 1.7510
 Frc consts  --      1.1494                 1.8591                 1.1588
 IR Inten    --     26.4558                18.1609                62.6669
 RamAct Fr= 1--      9.2849                 0.4124                 5.5202
  Dep-P Fr= 1--      0.3634                 0.1825                 0.1813
  Dep-U Fr= 1--      0.5331                 0.3086                 0.3069
 Alpha2 Fr= 1--      0.0780                 0.0059                 0.0787
 Beta2  Fr= 1--      0.8249                 0.0212                 0.2824
 AlphaG Fr= 1--      0.1427                 0.0075                 0.0621
 Gamma2 Fr= 1--     -0.0120                 0.0027                -0.8591
 Delta2 Fr= 1--     -0.7902                -0.2189                -1.2881
 Raman1 Fr= 1--      37.139                  1.650                 22.081
 ROA1   Fr= 1--     -26.441                 -6.747               -123.694
 CID1   Fr= 1--      -0.712                 -4.090                 -5.602
 Raman2 Fr= 1--       9.899                  0.255                  3.389
 ROA2   Fr= 1--       6.034                  1.816                -10.314
 CID2   Fr= 1--       0.610                  7.132                 -3.043
 Raman3 Fr= 1--      19.797                  0.509                  6.778
 ROA3   Fr= 1--     -26.441                 -6.747               -123.694
 CID3   Fr= 1--      -1.336                -13.252                -18.250
 RC180  Fr= 1--       0.066                 -0.383                 -0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     2   6    -0.00   0.00  -0.01     0.03  -0.01  -0.01     0.02  -0.00   0.01
     3   6     0.00   0.02   0.01    -0.01  -0.06   0.18    -0.01  -0.02   0.05
     4   6     0.05  -0.04  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     6   6    -0.04  -0.02   0.04    -0.02  -0.07   0.20     0.02  -0.01   0.01
     7   6     0.01  -0.00   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
     8   6     0.00  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00  -0.01
     9   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.01
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.01  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.02  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.05     0.00  -0.04   0.10
    15   1    -0.01   0.04  -0.02     0.18   0.11  -0.36     0.11   0.02  -0.09
    16   1    -0.03  -0.09  -0.03     0.27  -0.13   0.28     0.11  -0.05   0.10
    17   1    -0.03  -0.15  -0.00     0.18   0.06  -0.34     0.10   0.07  -0.16
    18   1    -0.09   0.06   0.05     0.25  -0.11   0.31     0.17  -0.05   0.06
    19   1     0.02   0.03   0.00    -0.04  -0.01  -0.00    -0.04  -0.01  -0.00
    20   1    -0.01  -0.03  -0.01    -0.04  -0.01   0.00     0.02   0.01  -0.00
    21   1     0.01   0.01   0.02    -0.01  -0.02  -0.00    -0.01  -0.03  -0.02
    22   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.01  -0.00  -0.01    -0.00   0.00   0.02    -0.01   0.00   0.02
    24   1     0.00  -0.00  -0.01    -0.00  -0.01  -0.02    -0.01  -0.00   0.00
    25   1    -0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.00  -0.03   0.01
    26   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.01   0.02  -0.02
    27   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.03   0.00
    28   1     0.36   0.51   0.19     0.04  -0.12  -0.01    -0.31   0.24  -0.00
    29   6    -0.09  -0.10  -0.02    -0.05   0.04  -0.02     0.11  -0.06   0.03
    30   1     0.02  -0.02  -0.04    -0.00  -0.00   0.09     0.01   0.00  -0.19
    31   1     0.19   0.23   0.13     0.03  -0.12  -0.05    -0.13   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.08  -0.19  -0.10     0.19   0.41   0.30
    33   1    -0.09  -0.12  -0.38     0.17   0.10   0.17    -0.37  -0.21  -0.29
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1087.9393              1107.8531              1110.1956
 Red. masses --      1.9619                 1.9696                 1.4937
 Frc consts  --      1.3682                 1.4242                 1.0847
 IR Inten    --      2.1936                 4.3877                 1.0484
 RamAct Fr= 1--      5.9721                 6.9336                 5.2844
  Dep-P Fr= 1--      0.6437                 0.2220                 0.2421
  Dep-U Fr= 1--      0.7833                 0.3633                 0.3898
 Alpha2 Fr= 1--      0.0114                 0.0888                 0.0640
 Beta2  Fr= 1--      0.7796                 0.4198                 0.3433
 AlphaG Fr= 1--     -0.0489                -0.0912                -0.0040
 Gamma2 Fr= 1--      0.0902                -2.3961                 0.1168
 Delta2 Fr= 1--      1.8850                -0.3181                 0.0884
 Raman1 Fr= 1--      23.889                 27.734                 21.138
 ROA1   Fr= 1--      68.975               -240.202                 14.044
 CID1   Fr= 1--       2.887                 -8.661                  0.664
 Raman2 Fr= 1--       9.355                  5.038                  4.120
 ROA2   Fr= 1--     -12.916                -54.960                  2.096
 CID2   Fr= 1--      -1.381                -10.909                  0.509
 Raman3 Fr= 1--      18.711                 10.076                  8.239
 ROA3   Fr= 1--      68.975               -240.202                 14.044
 CID3   Fr= 1--       3.686                -23.840                  1.704
 RC180  Fr= 1--       0.567                 -0.273                 -0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05    -0.01  -0.01   0.03    -0.01   0.02  -0.00
     2   6     0.01  -0.02   0.07     0.01   0.02  -0.02    -0.07  -0.04  -0.01
     3   6     0.03   0.02  -0.05    -0.02   0.01  -0.00     0.02   0.01  -0.02
     4   6     0.02  -0.05   0.04    -0.01  -0.03   0.00     0.00  -0.01   0.00
     5   6    -0.03   0.02  -0.02     0.01   0.01  -0.01     0.03  -0.01   0.01
     6   6     0.02   0.01  -0.06     0.02  -0.01   0.01     0.00   0.01   0.02
     7   6     0.01  -0.01   0.04    -0.00   0.01  -0.06    -0.02   0.04   0.00
     8   6    -0.01   0.04  -0.12    -0.02  -0.04   0.11     0.14   0.02   0.01
     9   6    -0.03  -0.02   0.06     0.04   0.03  -0.05    -0.06  -0.03  -0.01
    10   6     0.04  -0.02   0.05    -0.03   0.02  -0.04    -0.08  -0.03  -0.02
    11   6     0.05   0.07   0.13     0.04   0.08   0.17    -0.01   0.01   0.03
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.00  -0.01
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1    -0.18  -0.01   0.04    -0.09  -0.00   0.10     0.02  -0.04  -0.05
    16   1     0.18  -0.06  -0.01    -0.10  -0.02  -0.05     0.05  -0.01  -0.02
    17   1    -0.21  -0.05   0.08     0.06  -0.01  -0.06     0.06  -0.00  -0.01
    18   1     0.12   0.01  -0.01     0.08  -0.02   0.04     0.08  -0.08   0.03
    19   1    -0.42  -0.08  -0.03     0.41   0.04   0.02    -0.16  -0.10   0.01
    20   1     0.42   0.12  -0.05    -0.31  -0.03   0.08    -0.27  -0.10  -0.01
    21   1    -0.02   0.06  -0.17    -0.03  -0.16   0.14     0.26   0.48   0.17
    22   1     0.01   0.10   0.12    -0.02  -0.12  -0.16     0.04   0.14   0.22
    23   1     0.01   0.01  -0.12    -0.04   0.02   0.17     0.13  -0.09  -0.29
    24   1     0.03   0.09   0.17    -0.06  -0.09  -0.15     0.15   0.06   0.01
    25   1    -0.00  -0.17   0.08    -0.02   0.13  -0.06     0.15   0.11  -0.02
    26   1    -0.03   0.07  -0.09    -0.00  -0.01   0.05     0.19  -0.26   0.17
    27   1     0.00  -0.16   0.04    -0.01   0.09  -0.01     0.01   0.29  -0.10
    28   1    -0.13   0.07   0.09    -0.15   0.05   0.12    -0.06   0.01   0.02
    29   6    -0.00  -0.02  -0.10     0.02  -0.02  -0.13     0.01  -0.00  -0.02
    30   1     0.00  -0.01   0.07     0.00  -0.02   0.12    -0.00  -0.00   0.00
    31   1    -0.24  -0.21  -0.21    -0.33  -0.24  -0.26    -0.06  -0.03  -0.04
    32   1     0.04   0.00   0.15     0.09   0.06   0.26     0.02   0.02   0.06
    33   1    -0.08  -0.03   0.08    -0.16  -0.06   0.10    -0.03  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1151.4873              1187.0860              1203.3838
 Red. masses --      1.4078                 2.0614                 2.0079
 Frc consts  --      1.0998                 1.7115                 1.7132
 IR Inten    --      0.3798               139.2710                 2.0065
 RamAct Fr= 1--      3.4375                 8.0057                 9.3347
  Dep-P Fr= 1--      0.1930                 0.3583                 0.2687
  Dep-U Fr= 1--      0.3235                 0.5276                 0.4235
 Alpha2 Fr= 1--      0.0476                 0.0684                 0.1049
 Beta2  Fr= 1--      0.1854                 0.7040                 0.6589
 AlphaG Fr= 1--     -0.0152                -0.0556                 0.0422
 Gamma2 Fr= 1--     -1.6615                 1.3079                 0.0710
 Delta2 Fr= 1--     -0.9531                 0.3493                -0.8979
 Raman1 Fr= 1--      13.750                 32.023                 37.339
 ROA1   Fr= 1--    -190.001                136.732                -21.920
 CID1   Fr= 1--     -13.818                  4.270                 -0.587
 Raman2 Fr= 1--       2.224                  8.448                  7.907
 ROA2   Fr= 1--     -32.250                 28.594                  8.887
 CID2   Fr= 1--     -14.499                  3.385                  1.124
 Raman3 Fr= 1--       4.449                 16.895                 15.815
 ROA3   Fr= 1--    -190.001                136.732                -21.920
 CID3   Fr= 1--     -42.711                  8.093                 -1.386
 RC180  Fr= 1--      -0.353                  0.055                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.01     0.01  -0.01   0.02    -0.02  -0.00  -0.01
     2   6     0.00   0.01  -0.02     0.02  -0.01  -0.01    -0.07   0.03   0.01
     3   6    -0.07   0.00   0.03     0.01  -0.01   0.02     0.02   0.00  -0.02
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.01     0.02  -0.00  -0.00
     5   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.03  -0.01   0.01
     6   6    -0.06   0.00   0.02     0.04   0.01  -0.03    -0.02  -0.01   0.01
     7   6    -0.00  -0.01   0.04    -0.01   0.01   0.00    -0.01  -0.07  -0.02
     8   6     0.00   0.02  -0.05     0.01  -0.00  -0.00    -0.09   0.18   0.07
     9   6    -0.02  -0.01   0.02    -0.01   0.00   0.00     0.07  -0.10  -0.01
    10   6     0.02  -0.00   0.02    -0.01   0.00   0.00     0.07  -0.08  -0.07
    11   6     0.01   0.03   0.05    -0.03   0.12  -0.07    -0.02   0.01  -0.00
    12   6     0.00  -0.02   0.01     0.04  -0.10   0.10     0.01  -0.01   0.01
    13   8     0.00   0.00   0.01    -0.01   0.04   0.05    -0.00   0.00   0.01
    14   8    -0.00   0.00  -0.03     0.00  -0.00  -0.14     0.00  -0.00  -0.01
    15   1     0.45   0.03  -0.24    -0.04  -0.02   0.06     0.05   0.03  -0.05
    16   1    -0.41   0.06  -0.10     0.25  -0.09   0.12     0.03   0.00  -0.02
    17   1     0.40   0.03  -0.22    -0.07  -0.03   0.00     0.05  -0.00  -0.00
    18   1    -0.43   0.08  -0.13     0.12  -0.02   0.00     0.05  -0.00   0.05
    19   1    -0.13   0.04   0.00    -0.03  -0.01   0.00     0.08   0.03  -0.02
    20   1     0.10  -0.03  -0.05    -0.03  -0.01  -0.00     0.08   0.01   0.02
    21   1    -0.00   0.04  -0.09     0.01  -0.01  -0.00    -0.04   0.35   0.12
    22   1     0.01   0.04   0.06     0.00   0.00   0.03     0.02   0.08  -0.39
    23   1     0.01  -0.01  -0.05     0.01  -0.01  -0.00    -0.14   0.11  -0.20
    24   1     0.02   0.03   0.05     0.01  -0.00  -0.01    -0.10   0.11   0.33
    25   1    -0.00  -0.06   0.03     0.01  -0.01   0.01    -0.16   0.28  -0.16
    26   1    -0.01   0.02  -0.02     0.01  -0.01  -0.01    -0.09  -0.05   0.25
    27   1     0.00  -0.05   0.01    -0.00   0.02  -0.02     0.10  -0.18   0.35
    28   1     0.03   0.00   0.04     0.19   0.13  -0.02    -0.05   0.02  -0.01
    29   6     0.01  -0.01  -0.04     0.03  -0.07   0.01     0.01  -0.01   0.00
    30   1     0.00  -0.02   0.13     0.02  -0.11   0.75     0.00  -0.01   0.08
    31   1    -0.09  -0.04  -0.06    -0.01   0.19   0.09    -0.01   0.02   0.01
    32   1     0.04   0.04   0.09     0.05   0.22   0.02     0.01   0.03   0.01
    33   1    -0.06  -0.03   0.01    -0.14  -0.12  -0.19    -0.03  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1214.7137              1223.2043              1237.4072
 Red. masses --      1.3546                 1.9418                 2.4938
 Frc consts  --      1.1776                 1.7118                 2.2498
 IR Inten    --      4.8896                 8.7669                 3.8402
 RamAct Fr= 1--     70.2970                35.3316                40.4160
  Dep-P Fr= 1--      0.1125                 0.1889                 0.1809
  Dep-U Fr= 1--      0.2023                 0.3178                 0.3063
 Alpha2 Fr= 1--      1.1934                 0.4940                 0.5771
 Beta2  Fr= 1--      2.3704                 1.8714                 2.0635
 AlphaG Fr= 1--      0.1423                 0.1001                -0.1158
 Gamma2 Fr= 1--     -6.7822                -1.1569                -0.4716
 Delta2 Fr= 1--      0.4375                 0.4784                 0.1163
 Raman1 Fr= 1--     281.188                141.326                161.664
 ROA1   Fr= 1--    -637.086                -95.758                -41.556
 CID1   Fr= 1--      -2.266                 -0.678                 -0.257
 Raman2 Fr= 1--      28.444                 22.457                 24.762
 ROA2   Fr= 1--    -166.272                -31.594                -12.249
 CID2   Fr= 1--      -5.846                 -1.407                 -0.495
 Raman3 Fr= 1--      56.889                 44.914                 49.524
 ROA3   Fr= 1--    -637.086                -95.758                -41.556
 CID3   Fr= 1--     -11.199                 -2.132                 -0.839
 RC180  Fr= 1--      -0.595                 -0.364                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.05   0.00  -0.03
     2   6     0.04  -0.00  -0.01    -0.03  -0.00   0.01     0.29  -0.04  -0.02
     3   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     4   6    -0.12   0.01   0.00     0.20  -0.03  -0.00     0.06  -0.01   0.02
     5   6     0.01   0.01  -0.03     0.08   0.00  -0.03    -0.07   0.03  -0.06
     6   6    -0.01   0.02  -0.04    -0.10   0.00   0.03     0.03  -0.00  -0.01
     7   6    -0.02  -0.00   0.00     0.02   0.01  -0.00    -0.12   0.01   0.00
     8   6     0.00   0.03   0.01     0.00  -0.03  -0.00     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.06  -0.02   0.01    -0.10   0.01  -0.01     0.00  -0.00  -0.01
    12   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.28  -0.05   0.25    -0.44  -0.03   0.23    -0.22  -0.03   0.18
    16   1     0.50  -0.13   0.24     0.09  -0.01  -0.02    -0.40   0.07  -0.07
    17   1     0.38   0.07  -0.30     0.25   0.02  -0.14    -0.33  -0.01   0.12
    18   1    -0.33   0.10  -0.18    -0.53   0.10  -0.13    -0.28   0.08  -0.14
    19   1    -0.04   0.00  -0.00     0.02   0.00  -0.00    -0.43  -0.16  -0.02
    20   1    -0.05  -0.01   0.01     0.05   0.03   0.01    -0.27  -0.03   0.04
    21   1     0.00   0.04   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.10
    22   1     0.00   0.02  -0.02    -0.00  -0.02   0.03     0.01   0.04  -0.09
    23   1    -0.00   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.01  -0.10
    24   1     0.00   0.02   0.03    -0.00  -0.02  -0.04     0.01   0.02   0.05
    25   1    -0.00   0.03  -0.01     0.01  -0.03   0.01     0.01   0.09  -0.04
    26   1     0.00  -0.02   0.04     0.01   0.01  -0.02     0.02  -0.09   0.11
    27   1     0.01  -0.00   0.03    -0.01   0.02  -0.04     0.02   0.06   0.06
    28   1     0.23  -0.07   0.02    -0.42   0.12  -0.04    -0.15   0.05  -0.02
    29   6    -0.02   0.01  -0.02     0.02  -0.01   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.14     0.00  -0.03   0.19    -0.00  -0.00  -0.00
    31   1     0.02  -0.05  -0.03    -0.02   0.08   0.05     0.01   0.01   0.02
    32   1    -0.01  -0.05   0.01     0.02   0.06   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.07  -0.04  -0.06     0.00  -0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1245.0210              1298.0220              1309.7962
 Red. masses --      1.3681                 1.9833                 1.5293
 Frc consts  --      1.2495                 1.9688                 1.5458
 IR Inten    --      1.1714                 0.7916                 8.6218
 RamAct Fr= 1--      7.0567                 6.6278                45.4091
  Dep-P Fr= 1--      0.7408                 0.1561                 0.2825
  Dep-U Fr= 1--      0.8511                 0.2701                 0.4405
 Alpha2 Fr= 1--      0.0011                 0.1009                 0.4905
 Beta2  Fr= 1--      1.0010                 0.2983                 3.3337
 AlphaG Fr= 1--      0.0215                 0.0820                -0.1840
 Gamma2 Fr= 1--      0.9442                 1.8541                -0.8102
 Delta2 Fr= 1--     -0.0486                -0.5079                 0.0100
 Raman1 Fr= 1--      28.227                 26.511                181.636
 ROA1   Fr= 1--      89.088                161.741                -77.461
 CID1   Fr= 1--       3.156                  6.101                 -0.426
 Raman2 Fr= 1--      12.012                  3.580                 40.005
 ROA2   Fr= 1--      23.051                 48.561                -19.525
 CID2   Fr= 1--       1.919                 13.564                 -0.488
 Raman3 Fr= 1--      24.024                  7.160                 80.010
 ROA3   Fr= 1--      89.088                161.741                -77.461
 CID3   Fr= 1--       3.708                 22.589                 -0.968
 RC180  Fr= 1--       0.702                 -0.460                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03     0.06   0.00  -0.03     0.01   0.00   0.00
     2   6    -0.02  -0.02   0.08    -0.01  -0.01   0.04    -0.01  -0.03  -0.01
     3   6    -0.02   0.01  -0.02    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.03    -0.06  -0.03   0.17    -0.01  -0.00   0.01
     5   6     0.02   0.00  -0.01     0.02   0.01  -0.04     0.00   0.00  -0.00
     6   6    -0.02   0.02  -0.03    -0.04   0.02  -0.05     0.00   0.01  -0.00
     7   6     0.01   0.01  -0.04    -0.00  -0.00  -0.01     0.10   0.09   0.02
     8   6     0.01  -0.04   0.09     0.01   0.00  -0.00    -0.10  -0.10  -0.02
     9   6     0.05   0.02  -0.03    -0.01  -0.00   0.00     0.06   0.03   0.00
    10   6    -0.05   0.00  -0.02     0.01  -0.00   0.00     0.06   0.03   0.00
    11   6     0.02  -0.00  -0.01     0.15  -0.05  -0.05     0.01  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00     0.00   0.02   0.04     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    15   1     0.16   0.03  -0.13    -0.11  -0.02   0.09    -0.02  -0.03   0.01
    16   1     0.08  -0.01   0.01    -0.17   0.07  -0.10    -0.00  -0.00  -0.00
    17   1     0.03   0.00  -0.02     0.27   0.05  -0.22     0.02  -0.00  -0.01
    18   1    -0.07   0.02  -0.06     0.28  -0.06   0.08     0.00  -0.02  -0.01
    19   1    -0.37  -0.31  -0.05     0.18   0.08   0.01    -0.41  -0.27  -0.01
    20   1     0.46   0.32   0.08    -0.09  -0.04   0.00    -0.43  -0.25  -0.09
    21   1     0.05  -0.15   0.45    -0.01   0.02  -0.12     0.06   0.51   0.17
    22   1    -0.01  -0.11  -0.16     0.00   0.02   0.04    -0.02  -0.13  -0.13
    23   1    -0.02   0.02   0.11     0.01  -0.01  -0.02    -0.05   0.06   0.12
    24   1    -0.05  -0.06  -0.07     0.02   0.01  -0.00    -0.14  -0.07  -0.03
    25   1     0.04   0.08  -0.03    -0.00   0.00  -0.00    -0.14  -0.08   0.00
    26   1     0.03  -0.07   0.05    -0.01   0.01  -0.01    -0.07   0.12  -0.05
    27   1    -0.01   0.18  -0.07     0.00  -0.01   0.01    -0.00  -0.18   0.02
    28   1     0.02   0.01  -0.01    -0.57   0.31  -0.07    -0.02   0.01  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.22     0.00  -0.00   0.02
    31   1     0.02   0.01   0.01     0.18  -0.01   0.06     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.02    -0.08  -0.09  -0.11    -0.00  -0.01  -0.00
    33   1     0.02   0.01  -0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0183              1346.2913              1353.3582
 Red. masses --      1.8195                 1.6865                 1.8595
 Frc consts  --      1.9278                 1.8010                 2.0067
 IR Inten    --      4.3376                18.1381                11.3203
 RamAct Fr= 1--     10.6763                 3.3609                 2.2051
  Dep-P Fr= 1--      0.5702                 0.5961                 0.7175
  Dep-U Fr= 1--      0.7263                 0.7469                 0.8355
 Alpha2 Fr= 1--      0.0362                 0.0096                 0.0012
 Beta2  Fr= 1--      1.2923                 0.4184                 0.3071
 AlphaG Fr= 1--      0.1248                 0.0103                -0.0041
 Gamma2 Fr= 1--     -1.6876                 5.4767                -1.5412
 Delta2 Fr= 1--     -0.0707                 3.1601                -1.3427
 Raman1 Fr= 1--      42.705                 13.443                  8.820
 ROA1   Fr= 1--    -164.271                626.882               -190.919
 CID1   Fr= 1--      -3.847                 46.631                -21.646
 Raman2 Fr= 1--      15.508                  5.021                  3.685
 ROA2   Fr= 1--     -39.936                106.159                -26.246
 CID2   Fr= 1--      -2.575                 21.144                 -7.123
 Raman3 Fr= 1--      31.016                 10.041                  7.370
 ROA3   Fr= 1--    -164.271                626.882               -190.919
 CID3   Fr= 1--      -5.296                 62.430                -25.906
 RC180  Fr= 1--       0.453                  0.494                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.03     0.03   0.00  -0.02     0.03   0.01  -0.03
     2   6    -0.00   0.02  -0.05     0.00  -0.03   0.07     0.02  -0.05   0.13
     3   6     0.04  -0.02   0.02    -0.05   0.01  -0.02    -0.08   0.02  -0.03
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.02     0.01  -0.01   0.02
     5   6    -0.04  -0.01   0.03     0.05   0.01  -0.03     0.07   0.01  -0.05
     6   6     0.05  -0.01   0.02    -0.04   0.01  -0.01    -0.05   0.01  -0.02
     7   6     0.00  -0.00   0.01     0.00   0.01  -0.02    -0.01   0.01  -0.03
     8   6    -0.00   0.01  -0.01     0.00  -0.01   0.02     0.01  -0.02   0.06
     9   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    10   6    -0.01   0.00   0.00     0.01  -0.00  -0.01     0.03  -0.00  -0.02
    11   6    -0.01  -0.16  -0.02    -0.04  -0.04  -0.04    -0.02  -0.03   0.01
    12   6    -0.02   0.08  -0.08     0.03  -0.14   0.11    -0.02   0.11  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02    -0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.04   0.00
    15   1     0.05   0.00  -0.03     0.07   0.01  -0.05     0.18   0.03  -0.13
    16   1    -0.02   0.03   0.01     0.16  -0.03   0.07     0.30  -0.08   0.12
    17   1    -0.01   0.01   0.01    -0.14  -0.03   0.10    -0.30  -0.03   0.22
    18   1    -0.06   0.01  -0.02    -0.08   0.02  -0.03    -0.21   0.05  -0.08
    19   1    -0.09  -0.02  -0.01     0.11   0.02   0.01     0.17   0.00   0.01
    20   1     0.08   0.02  -0.01    -0.11  -0.03   0.02    -0.17  -0.02   0.04
    21   1     0.01  -0.05   0.12    -0.02   0.07  -0.19    -0.05   0.15  -0.42
    22   1     0.00   0.00  -0.02    -0.01  -0.00   0.02    -0.02  -0.01   0.05
    23   1    -0.01   0.01   0.01     0.02  -0.02  -0.02     0.06  -0.04  -0.04
    24   1    -0.01   0.00   0.02     0.02  -0.01  -0.03     0.04  -0.02  -0.07
    25   1     0.01  -0.01   0.01    -0.02   0.02  -0.01    -0.05   0.05  -0.04
    26   1     0.02  -0.02   0.00    -0.02   0.02   0.00    -0.06   0.05   0.01
    27   1    -0.01   0.01  -0.01     0.01  -0.02   0.02     0.03  -0.02   0.04
    28   1     0.09   0.70   0.32     0.17   0.65   0.27     0.22  -0.21  -0.01
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.45     0.02  -0.08   0.39
    31   1    -0.02  -0.19  -0.13    -0.04   0.01  -0.05    -0.05  -0.10  -0.04
    32   1     0.03  -0.14   0.13     0.05   0.03   0.13    -0.01  -0.07  -0.06
    33   1     0.01   0.07   0.11     0.03   0.03   0.16    -0.06  -0.01  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1373.0692              1376.3822              1388.2120
 Red. masses --      1.6401                 1.3097                 1.3529
 Frc consts  --      1.8219                 1.4618                 1.5361
 IR Inten    --      2.0774                 0.1282                 8.3501
 RamAct Fr= 1--      1.2965                 2.0755                12.5977
  Dep-P Fr= 1--      0.4473                 0.5899                 0.3691
  Dep-U Fr= 1--      0.6181                 0.7420                 0.5392
 Alpha2 Fr= 1--      0.0080                 0.0062                 0.1038
 Beta2  Fr= 1--      0.1336                 0.2567                 1.1321
 AlphaG Fr= 1--      0.0269                -0.0160                -0.0150
 Gamma2 Fr= 1--      0.4955                 1.2805                 0.0592
 Delta2 Fr= 1--      0.0047                 0.9238                 0.1706
 Raman1 Fr= 1--       5.186                  8.302                 50.391
 ROA1   Fr= 1--      47.714                152.491                 11.144
 CID1   Fr= 1--       9.201                 18.368                  0.221
 Raman2 Fr= 1--       1.603                  3.080                 13.585
 ROA2   Fr= 1--      11.853                 23.342                  0.056
 CID2   Fr= 1--       7.395                  7.578                  0.004
 Raman3 Fr= 1--       3.206                  6.160                 27.170
 ROA3   Fr= 1--      47.714                152.491                 11.144
 CID3   Fr= 1--      14.885                 24.753                  0.410
 RC180  Fr= 1--       0.236                  0.484                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.01  -0.05    -0.03  -0.00   0.02     0.01   0.00  -0.01
     2   6     0.00  -0.01   0.02     0.00  -0.02   0.05     0.04   0.01  -0.00
     3   6    -0.05   0.01  -0.00    -0.03   0.01  -0.02    -0.01  -0.00   0.01
     4   6     0.03  -0.03   0.08    -0.02   0.02  -0.04    -0.00   0.00   0.00
     5   6     0.05   0.00  -0.02     0.02   0.00  -0.02    -0.01   0.00  -0.01
     6   6    -0.09   0.02  -0.02     0.04  -0.01   0.01     0.01  -0.00   0.01
     7   6     0.00  -0.01   0.02    -0.00  -0.00   0.00    -0.12  -0.03   0.00
     8   6    -0.01   0.04  -0.11    -0.01   0.03  -0.10    -0.00  -0.10  -0.03
     9   6     0.03  -0.02   0.01     0.03  -0.02  -0.00     0.02   0.01  -0.02
    10   6    -0.03   0.01   0.02    -0.03   0.02   0.02     0.03  -0.01   0.02
    11   6    -0.08  -0.01  -0.01     0.05   0.00   0.01    -0.00  -0.00  -0.00
    12   6     0.00   0.03  -0.03    -0.00  -0.01   0.01     0.00  -0.00   0.00
    13   8    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.24  -0.04   0.18     0.26   0.03  -0.18    -0.06  -0.00   0.04
    16   1    -0.11   0.02  -0.02     0.28  -0.07   0.10    -0.05   0.01  -0.00
    17   1     0.06   0.01  -0.02    -0.23  -0.03   0.15    -0.04  -0.00   0.01
    18   1     0.25  -0.06   0.11    -0.27   0.07  -0.11    -0.05   0.02  -0.02
    19   1     0.12   0.11   0.01     0.22   0.13   0.02     0.27   0.31   0.01
    20   1    -0.13  -0.10  -0.03    -0.20  -0.11  -0.02     0.29   0.28   0.13
    21   1     0.05  -0.18   0.50     0.05  -0.14   0.45     0.20   0.64   0.20
    22   1     0.04   0.05  -0.01     0.05   0.06   0.02     0.02  -0.07   0.09
    23   1    -0.10   0.06   0.06    -0.10   0.05   0.10    -0.02  -0.01   0.16
    24   1    -0.06   0.04   0.12    -0.05   0.06   0.14    -0.08   0.05   0.09
    25   1     0.08  -0.11   0.06     0.07  -0.13   0.06    -0.09   0.10  -0.03
    26   1     0.10  -0.08  -0.00     0.12  -0.09   0.02    -0.06   0.09  -0.13
    27   1    -0.04  -0.03  -0.03    -0.05  -0.07  -0.01     0.00   0.01  -0.12
    28   1     0.54  -0.06   0.10    -0.38   0.02  -0.07     0.01   0.00   0.00
    29   6     0.02   0.01  -0.01    -0.01  -0.01   0.02     0.00   0.00   0.00
    30   1     0.00  -0.02   0.08    -0.00   0.00  -0.02    -0.00  -0.00   0.00
    31   1    -0.07  -0.03  -0.04     0.03  -0.01   0.02    -0.01  -0.01  -0.00
    32   1     0.03  -0.02   0.03    -0.02  -0.01  -0.06    -0.00  -0.00  -0.01
    33   1    -0.06  -0.00   0.04     0.03  -0.00  -0.06    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.5889              1417.9679              1425.2925
 Red. masses --      1.2774                 1.2304                 1.2480
 Frc consts  --      1.4870                 1.4576                 1.4937
 IR Inten    --      8.3453                 3.4588                 7.7220
 RamAct Fr= 1--      0.0627                 1.5581                 2.9402
  Dep-P Fr= 1--      0.7477                 0.5072                 0.4639
  Dep-U Fr= 1--      0.8556                 0.6731                 0.6338
 Alpha2 Fr= 1--      0.0000                 0.0074                 0.0170
 Beta2  Fr= 1--      0.0089                 0.1748                 0.3106
 AlphaG Fr= 1--     -0.0001                -0.0137                -0.0027
 Gamma2 Fr= 1--      0.0621                -0.1363                 0.0128
 Delta2 Fr= 1--      0.0354                 0.0444                 0.0452
 Raman1 Fr= 1--       0.251                  6.232                 11.761
 ROA1   Fr= 1--       7.092                -11.663                  2.669
 CID1   Fr= 1--      28.294                 -1.871                  0.227
 Raman2 Fr= 1--       0.107                  2.097                  3.727
 ROA2   Fr= 1--       1.206                 -3.625                 -0.055
 CID2   Fr= 1--      11.250                 -1.728                 -0.015
 Raman3 Fr= 1--       0.214                  4.195                  7.454
 ROA3   Fr= 1--       7.092                -11.663                  2.669
 CID3   Fr= 1--      33.068                 -2.780                  0.358
 RC180  Fr= 1--       0.711                  0.346                  0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.01  -0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.01  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.01   0.03  -0.03    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    15   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    16   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    17   1     0.03   0.00  -0.03    -0.05  -0.01   0.02     0.01   0.00  -0.00
    18   1     0.02  -0.00   0.00    -0.04   0.01  -0.01     0.01  -0.01   0.00
    19   1    -0.05  -0.05  -0.01     0.03   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.03  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.01   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1     0.12   0.03   0.39    -0.00   0.00  -0.01     0.14   0.11   0.37
    23   1    -0.09  -0.07   0.37    -0.00   0.00  -0.01    -0.16  -0.02   0.36
    24   1    -0.06   0.24   0.28     0.00  -0.01  -0.00    -0.07   0.23   0.29
    25   1     0.10  -0.36   0.06    -0.00   0.01  -0.00    -0.10   0.35  -0.07
    26   1     0.17  -0.17   0.31    -0.00   0.00  -0.01    -0.22   0.19  -0.25
    27   1    -0.04  -0.28   0.31    -0.00   0.01  -0.01     0.07   0.32  -0.24
    28   1     0.04  -0.00   0.00     0.03  -0.06  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.07  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.02   0.08     0.00  -0.00  -0.00
    31   1     0.01   0.02   0.00     0.34   0.42   0.17    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.02     0.07   0.35   0.42     0.00  -0.00   0.00
    33   1     0.01   0.00   0.02     0.38   0.10   0.43    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1461.0844              1489.2662              1489.8677
 Red. masses --      2.4416                 1.0407                 1.0978
 Frc consts  --      3.0709                 1.3600                 1.4357
 IR Inten    --      6.3943                 2.6121                 3.3894
 RamAct Fr= 1--      0.5041                 8.6178                14.1525
  Dep-P Fr= 1--      0.2188                 0.7500                 0.7128
  Dep-U Fr= 1--      0.3590                 0.8571                 0.8323
 Alpha2 Fr= 1--      0.0065                 0.0000                 0.0091
 Beta2  Fr= 1--      0.0302                 1.2311                 1.9633
 AlphaG Fr= 1--      0.0449                -0.0000                -0.0045
 Gamma2 Fr= 1--     -0.4078                 0.0400                -0.7271
 Delta2 Fr= 1--     -0.4385                -0.1628                 0.1583
 Raman1 Fr= 1--       2.016                 34.471                 56.610
 ROA1   Fr= 1--     -53.180                 -1.371                -64.733
 CID1   Fr= 1--     -26.376                 -0.040                 -1.143
 Raman2 Fr= 1--       0.362                 14.773                 23.559
 ROA2   Fr= 1--      -6.280                  2.262                -18.715
 CID2   Fr= 1--     -17.352                  0.153                 -0.794
 Raman3 Fr= 1--       0.724                 29.547                 47.119
 ROA3   Fr= 1--     -53.180                 -1.371                -64.733
 CID3   Fr= 1--     -73.475                 -0.046                 -1.374
 RC180  Fr= 1--      -0.282                  0.714                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.01  -0.01  -0.00
     3   6     0.13  -0.00  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.13   0.00  -0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00  -0.00     0.06  -0.05  -0.02
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01     0.04   0.01  -0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.01
    11   6    -0.04   0.02  -0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.22   0.07  -0.29     0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.31   0.12  -0.23    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.25   0.07  -0.30     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.28   0.10  -0.22    -0.01  -0.00  -0.01     0.02  -0.00   0.01
    19   1     0.21   0.05   0.01    -0.01   0.01  -0.00    -0.34   0.49  -0.22
    20   1    -0.21  -0.05   0.03    -0.00   0.00   0.01    -0.26   0.23   0.53
    21   1     0.00  -0.01   0.03    -0.01   0.02  -0.07    -0.02  -0.04  -0.01
    22   1     0.01   0.07  -0.02     0.05  -0.13   0.28    -0.06  -0.11  -0.10
    23   1    -0.04   0.03   0.00    -0.17   0.21  -0.26     0.16  -0.13   0.04
    24   1     0.03  -0.02  -0.03    -0.45  -0.19  -0.04     0.10   0.09   0.06
    25   1    -0.04   0.03  -0.00     0.46   0.21   0.01     0.07   0.11  -0.01
    26   1     0.04  -0.02  -0.03     0.11  -0.00  -0.37     0.14  -0.07  -0.13
    27   1    -0.02  -0.04  -0.06     0.01  -0.08   0.31    -0.05  -0.15   0.00
    28   1     0.38  -0.05   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.06  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.04  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7117              1497.9054              1501.8923
 Red. masses --      1.0455                 1.0569                 1.0534
 Frc consts  --      1.3781                 1.3972                 1.4000
 IR Inten    --      5.7626                 0.0082                11.5294
 RamAct Fr= 1--      6.1852                 0.4333                 6.5661
  Dep-P Fr= 1--      0.6352                 0.7498                 0.5829
  Dep-U Fr= 1--      0.7769                 0.8570                 0.7365
 Alpha2 Fr= 1--      0.0129                 0.0000                 0.0205
 Beta2  Fr= 1--      0.8009                 0.0619                 0.8060
 AlphaG Fr= 1--      0.0374                 0.0005                 0.1204
 Gamma2 Fr= 1--     -0.1526                 0.2127                 2.0907
 Delta2 Fr= 1--     -1.4299                 0.1534                 1.9237
 Raman1 Fr= 1--      24.741                  1.733                 26.265
 ROA1   Fr= 1--     -60.402                 25.327                262.265
 CID1   Fr= 1--      -2.441                 14.612                  9.986
 Raman2 Fr= 1--       9.611                  0.743                  9.672
 ROA2   Fr= 1--       7.778                  3.877                 34.786
 CID2   Fr= 1--       0.809                  5.220                  3.597
 Raman3 Fr= 1--      19.222                  1.486                 19.343
 ROA3   Fr= 1--     -60.402                 25.327                262.265
 CID3   Fr= 1--      -3.142                 17.050                 13.558
 RC180  Fr= 1--       0.554                  0.714                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00     0.00  -0.01   0.03    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.04   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    16   1    -0.03   0.01  -0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
    17   1    -0.01  -0.00   0.00    -0.00  -0.00   0.01    -0.01  -0.02   0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.04  -0.03  -0.00     0.00   0.01  -0.00
    20   1     0.00  -0.00   0.00     0.05   0.03   0.01    -0.01  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.01   0.03  -0.08     0.00   0.00   0.00
    22   1     0.00   0.00   0.00     0.12   0.47  -0.01    -0.00  -0.01  -0.00
    23   1    -0.01   0.00  -0.00    -0.35   0.21   0.08     0.01  -0.01   0.00
    24   1    -0.00  -0.00  -0.00     0.14  -0.13  -0.20     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.17   0.22  -0.05     0.01  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.35  -0.19  -0.14    -0.01   0.00   0.00
    27   1     0.00   0.00   0.00    -0.15  -0.37  -0.28     0.00   0.01   0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03    -0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    31   1     0.03  -0.46  -0.13     0.02  -0.01   0.00     0.61  -0.24   0.02
    32   1     0.02   0.51   0.05     0.00  -0.01   0.01     0.06  -0.34   0.54
    33   1     0.51   0.11  -0.47    -0.00  -0.00  -0.01    -0.25  -0.06  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.8860              1512.7628              1551.8558
 Red. masses --      1.0505                 1.0556                 2.4222
 Frc consts  --      1.4091                 1.4233                 3.4368
 IR Inten    --     11.8050                10.4743                24.2525
 RamAct Fr= 1--      0.7558                 3.2741                 0.6423
  Dep-P Fr= 1--      0.6336                 0.7011                 0.7451
  Dep-U Fr= 1--      0.7757                 0.8243                 0.8539
 Alpha2 Fr= 1--      0.0016                 0.0028                 0.0001
 Beta2  Fr= 1--      0.0977                 0.4498                 0.0914
 AlphaG Fr= 1--      0.0016                -0.0000                 0.0008
 Gamma2 Fr= 1--      0.1730                 0.1523                 0.6842
 Delta2 Fr= 1--      0.0783                 0.1862                 0.4997
 Raman1 Fr= 1--       3.023                 13.096                  2.569
 ROA1   Fr= 1--      19.116                 20.577                 81.674
 CID1   Fr= 1--       6.323                  1.571                 31.789
 Raman2 Fr= 1--       1.173                  5.398                  1.097
 ROA2   Fr= 1--       3.527                  2.165                 12.423
 CID2   Fr= 1--       3.008                  0.401                 11.325
 Raman3 Fr= 1--       2.345                 10.795                  2.194
 ROA3   Fr= 1--      19.116                 20.577                 81.674
 CID3   Fr= 1--       8.152                  1.906                 37.228
 RC180  Fr= 1--       0.551                  0.649                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.21
    16   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.43  -0.09   0.11
    17   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.43   0.03  -0.24
    18   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.44  -0.08   0.11
    19   1    -0.12   0.22  -0.09    -0.03   0.07  -0.02    -0.04   0.02  -0.00
    20   1    -0.09   0.11   0.23    -0.02   0.04   0.07    -0.04   0.02   0.02
    21   1     0.02  -0.05  -0.02     0.01   0.07   0.02     0.01   0.05   0.02
    22   1     0.10   0.12   0.22     0.06   0.45  -0.19     0.01   0.02   0.00
    23   1    -0.29   0.28  -0.20    -0.20   0.07   0.21    -0.03   0.02   0.00
    24   1    -0.29  -0.23  -0.14     0.36  -0.02  -0.17    -0.00  -0.02  -0.01
    25   1    -0.27  -0.29   0.02     0.38  -0.10   0.05    -0.00  -0.02   0.00
    26   1    -0.22   0.07   0.37    -0.23   0.17  -0.08    -0.02   0.01   0.01
    27   1     0.06   0.23  -0.11     0.12   0.24   0.40     0.01   0.02   0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.01
    32   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.0236              1658.0384              1809.4309
 Red. masses --      5.9298                 5.7996                 9.5570
 Frc consts  --      9.1353                 9.3938                18.4355
 IR Inten    --      0.0349                 1.3501               327.2990
 RamAct Fr= 1--      1.4746               188.3519                24.2012
  Dep-P Fr= 1--      0.5119                 0.4634                 0.1815
  Dep-U Fr= 1--      0.6772                 0.6333                 0.3072
 Alpha2 Fr= 1--      0.0069                 1.0930                 0.3450
 Beta2  Fr= 1--      0.1664                19.8808                 1.2391
 AlphaG Fr= 1--     -0.1092                 0.0944                -0.0758
 Gamma2 Fr= 1--      0.0865                -0.9981                 2.9350
 Delta2 Fr= 1--     -0.1423                -0.2459                -3.5998
 Raman1 Fr= 1--       5.898                753.407                 96.805
 ROA1   Fr= 1--       3.751               -103.687                166.571
 CID1   Fr= 1--       0.636                 -0.138                  1.721
 Raman2 Fr= 1--       1.997                238.570                 14.870
 ROA2   Fr= 1--       3.215                -21.987                 99.239
 CID2   Fr= 1--       1.610                 -0.092                  6.674
 Raman3 Fr= 1--       3.994                477.140                 29.740
 ROA3   Fr= 1--       3.751               -103.687                166.571
 CID3   Fr= 1--       0.939                 -0.217                  5.601
 RC180  Fr= 1--       0.354                  0.267                 -0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.21     0.28   0.01  -0.11     0.01  -0.00  -0.00
     2   6    -0.03   0.11  -0.32    -0.21   0.01   0.03    -0.00   0.00   0.00
     3   6    -0.12   0.08  -0.18    -0.28   0.05  -0.04    -0.01   0.00  -0.00
     4   6     0.04  -0.11   0.32     0.19  -0.02  -0.02     0.03  -0.00  -0.01
     5   6     0.07   0.06  -0.20    -0.27  -0.00   0.11    -0.01  -0.00   0.01
     6   6     0.11  -0.07   0.18     0.30  -0.05   0.04     0.01  -0.00  -0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.12   0.42   0.55
    13   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.07  -0.24  -0.37
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.05    -0.26  -0.06   0.27    -0.01  -0.00   0.01
    16   1     0.31  -0.03  -0.03     0.28  -0.10   0.18     0.02   0.01   0.01
    17   1    -0.31   0.01   0.05     0.26   0.06  -0.28     0.03  -0.00  -0.02
    18   1    -0.30   0.02   0.03    -0.31   0.10  -0.20    -0.00   0.00  -0.01
    19   1    -0.21  -0.03  -0.01     0.02   0.01  -0.01    -0.00   0.00  -0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00
    22   1     0.01   0.01   0.01    -0.00  -0.01   0.00     0.00   0.00   0.00
    23   1    -0.02   0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
    25   1     0.00   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.00   0.00   0.00
    28   1     0.28  -0.05   0.01    -0.00  -0.00   0.00    -0.08   0.23   0.08
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.02  -0.08   0.47
    31   1     0.03   0.02   0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1    -0.00  -0.03   0.01     0.00   0.02   0.01     0.01   0.02   0.02
    33   1    -0.02   0.00   0.01     0.02   0.00   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7187              3026.0213              3027.3665
 Red. masses --      1.0816                 1.0346                 1.0486
 Frc consts  --      5.7457                 5.5815                 5.6624
 IR Inten    --     21.7719                35.0566                41.9411
 RamAct Fr= 1--    152.2203                15.5690                61.9480
  Dep-P Fr= 1--      0.4618                 0.7368                 0.6447
  Dep-U Fr= 1--      0.6318                 0.8485                 0.7840
 Alpha2 Fr= 1--      0.8892                 0.0035                 0.1175
 Beta2  Fr= 1--     16.0292                 2.2016                 8.0941
 AlphaG Fr= 1--     -0.0095                 0.0013                -0.0900
 Gamma2 Fr= 1--      0.8055                 0.8243                 1.0150
 Delta2 Fr= 1--     -1.1757                -0.7553                 1.0184
 Raman1 Fr= 1--     608.881                 62.276                247.792
 ROA1   Fr= 1--      39.708                 54.968                130.028
 CID1   Fr= 1--       0.065                  0.883                  0.525
 Raman2 Fr= 1--     192.351                 26.419                 97.129
 ROA2   Fr= 1--      28.737                 25.826                 16.213
 CID2   Fr= 1--       0.149                  0.978                  0.167
 Raman3 Fr= 1--     384.701                 52.838                194.258
 ROA3   Fr= 1--      39.708                 54.968                130.028
 CID3   Fr= 1--       0.103                  1.040                  0.669
 RC180  Fr= 1--       0.264                  0.697                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.01    -0.00  -0.00   0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00  -0.03    -0.00  -0.00  -0.03
    10   6     0.01   0.00  -0.00    -0.01   0.03  -0.02     0.00  -0.01   0.02
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    19   1    -0.04   0.03   0.18     0.01  -0.01  -0.04    -0.10   0.10   0.48
    20   1    -0.07   0.13  -0.11     0.01  -0.01   0.01    -0.18   0.36  -0.29
    21   1     0.91  -0.20  -0.17     0.01  -0.00  -0.00    -0.16   0.03   0.03
    22   1    -0.08   0.02   0.02    -0.34   0.08   0.07    -0.25   0.06   0.05
    23   1    -0.03  -0.04  -0.01     0.22   0.30   0.07     0.17   0.24   0.06
    24   1    -0.01   0.04  -0.03     0.12  -0.32   0.24     0.10  -0.28   0.20
    25   1    -0.00   0.01   0.05    -0.06   0.11   0.45     0.03  -0.07  -0.29
    26   1    -0.03  -0.04  -0.01    -0.24  -0.33  -0.09     0.14   0.19   0.06
    27   1    -0.08   0.02   0.01     0.38  -0.10  -0.07    -0.20   0.05   0.03
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.8955              3045.4560              3063.5875
 Red. masses --      1.0477                 1.0362                 1.1039
 Frc consts  --      5.6781                 5.6624                 6.1046
 IR Inten    --     18.7608                27.7217                18.1704
 RamAct Fr= 1--    581.8429               259.3411                61.8532
  Dep-P Fr= 1--      0.0127                 0.0680                 0.7495
  Dep-U Fr= 1--      0.0250                 0.1274                 0.8568
 Alpha2 Fr= 1--     12.5527                 4.9064                 0.0006
 Beta2  Fr= 1--      2.4242                 5.5076                 8.8326
 AlphaG Fr= 1--      0.6013                -0.9733                -0.0400
 Gamma2 Fr= 1--      1.0516                 0.2225                 0.9498
 Delta2 Fr= 1--     -0.4728                 3.2274                 1.1695
 Raman1 Fr= 1--    2327.372               1037.365                247.413
 ROA1   Fr= 1--      85.826                124.632                128.608
 CID1   Fr= 1--       0.037                  0.120                  0.520
 Raman2 Fr= 1--      29.090                 66.091                105.991
 ROA2   Fr= 1--      29.022                -20.480                 13.440
 CID2   Fr= 1--       0.998                 -0.310                  0.127
 Raman3 Fr= 1--      58.181                132.183                211.981
 ROA3   Fr= 1--      85.826                124.632                128.608
 CID3   Fr= 1--       1.475                  0.943                  0.607
 RC180  Fr= 1--      -0.950                 -0.745                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    18   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    19   1    -0.09   0.10   0.45    -0.00   0.00   0.01    -0.14   0.16   0.66
    20   1    -0.16   0.34  -0.26    -0.00   0.00  -0.00     0.26  -0.53   0.39
    21   1    -0.18   0.04   0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.30  -0.07  -0.06     0.00  -0.00  -0.00    -0.03   0.01   0.01
    23   1    -0.16  -0.22  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    24   1    -0.09   0.25  -0.18    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    25   1    -0.04   0.07   0.30    -0.00   0.00   0.00     0.01  -0.01  -0.05
    26   1    -0.16  -0.21  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    27   1     0.29  -0.07  -0.05     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.01   0.00   0.00     0.67  -0.06  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.01   0.00    -0.16   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3084.3543              3085.7927              3088.3366
 Red. masses --      1.0851                 1.1020                 1.1008
 Frc consts  --      6.0823                 6.1823                 6.1858
 IR Inten    --      3.7551                15.5184                50.3847
 RamAct Fr= 1--     61.0071                42.4471               149.3633
  Dep-P Fr= 1--      0.2337                 0.7478                 0.6961
  Dep-U Fr= 1--      0.3788                 0.8557                 0.8208
 Alpha2 Fr= 1--      0.7565                 0.0016                 0.1407
 Beta2  Fr= 1--      3.8520                 6.0536                20.4331
 AlphaG Fr= 1--      0.3958                -0.1068                -0.0090
 Gamma2 Fr= 1--     -4.8596                 3.3403                -0.5541
 Delta2 Fr= 1--     -4.5080                 2.4193                -2.6041
 Raman1 Fr= 1--     244.028                169.788                597.453
 ROA1   Fr= 1--    -610.779                398.091               -136.526
 CID1   Fr= 1--      -2.503                  2.345                 -0.229
 Raman2 Fr= 1--      46.224                 72.644                245.197
 ROA2   Fr= 1--     -80.567                 60.813                  7.535
 CID2   Fr= 1--      -1.743                  0.837                  0.031
 Raman3 Fr= 1--      92.448                145.287                490.395
 ROA3   Fr= 1--    -610.779                398.091               -136.526
 CID3   Fr= 1--      -6.607                  2.740                 -0.278
 RC180  Fr= 1--      -0.242                  0.711                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.01   0.06  -0.01    -0.00  -0.07   0.01
    10   6     0.00   0.00   0.00    -0.01  -0.04  -0.05    -0.01  -0.04  -0.05
    11   6     0.02   0.03  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    16   1     0.02   0.01  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.06    -0.00   0.00   0.01
    20   1     0.00   0.00  -0.00     0.02  -0.05   0.04    -0.01   0.02  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01   0.01
    22   1    -0.00   0.00   0.00     0.05   0.00  -0.01    -0.12   0.01   0.03
    23   1     0.00   0.00   0.00    -0.28  -0.37  -0.10     0.30   0.39   0.12
    24   1    -0.00   0.00  -0.00     0.13  -0.35   0.27    -0.15   0.40  -0.31
    25   1     0.00  -0.00  -0.01    -0.07   0.11   0.50    -0.06   0.10   0.46
    26   1    -0.01  -0.01  -0.00     0.31   0.41   0.10     0.26   0.34   0.08
    27   1    -0.00   0.00   0.00    -0.07   0.01  -0.00    -0.14   0.03   0.01
    28   1    -0.19  -0.34   0.89    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    29   6    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1     0.04   0.07  -0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.07  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.03   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3092.0368              3097.1395              3107.0048
 Red. masses --      1.1017                 1.1008                 1.1021
 Frc consts  --      6.2059                 6.2213                 6.2685
 IR Inten    --      6.9290                76.0051                25.2385
 RamAct Fr= 1--     12.1577                66.2033               122.9927
  Dep-P Fr= 1--      0.7480                 0.4649                 0.7061
  Dep-U Fr= 1--      0.8558                 0.6347                 0.8277
 Alpha2 Fr= 1--      0.0004                 0.3817                 0.0938
 Beta2  Fr= 1--      1.7342                 7.0037                16.9671
 AlphaG Fr= 1--      0.0260                -0.0730                 0.1943
 Gamma2 Fr= 1--     -1.9517                -0.5599                -2.8140
 Delta2 Fr= 1--     -0.5086                 1.1246                -4.4482
 Raman1 Fr= 1--      48.631                264.813                491.971
 ROA1   Fr= 1--    -203.642                -17.765               -412.481
 CID1   Fr= 1--      -4.188                 -0.067                 -0.838
 Raman2 Fr= 1--      20.810                 84.044                203.605
 ROA2   Fr= 1--     -42.773                -22.434                -31.949
 CID2   Fr= 1--      -2.055                 -0.267                 -0.157
 Raman3 Fr= 1--      41.620                168.088                407.211
 ROA3   Fr= 1--    -203.642                -17.765               -412.481
 CID3   Fr= 1--      -4.893                 -0.106                 -1.013
 RC180  Fr= 1--       0.712                  0.269                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
     9   6     0.06  -0.01   0.01    -0.07  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.06  -0.00   0.02    -0.06  -0.01   0.01    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    19   1     0.01  -0.01  -0.03     0.00  -0.00  -0.02     0.00  -0.00  -0.00
    20   1    -0.01   0.02  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00     0.16  -0.04  -0.03     0.00  -0.00  -0.00
    22   1    -0.55   0.14   0.13     0.56  -0.14  -0.13     0.00  -0.00  -0.00
    23   1    -0.15  -0.23  -0.06     0.20   0.29   0.08     0.00   0.00   0.00
    24   1    -0.05   0.19  -0.14     0.04  -0.15   0.11    -0.00  -0.00   0.00
    25   1     0.01  -0.05  -0.22     0.01  -0.04  -0.16    -0.00  -0.00   0.00
    26   1     0.17   0.25   0.07     0.19   0.28   0.08     0.00   0.00   0.00
    27   1     0.58  -0.16  -0.09     0.53  -0.15  -0.08     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.06  -0.02
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.67   0.04   0.13
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.18   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.1290              3163.6617              3168.2926
 Red. masses --      1.1003                 1.0868                 1.0879
 Frc consts  --      6.3559                 6.4087                 6.4339
 IR Inten    --     14.9314                10.3252                10.9078
 RamAct Fr= 1--     31.4071                51.2742                63.8101
  Dep-P Fr= 1--      0.6064                 0.7477                 0.5260
  Dep-U Fr= 1--      0.7550                 0.8557                 0.6894
 Alpha2 Fr= 1--      0.0832                 0.0020                 0.2775
 Beta2  Fr= 1--      3.9520                 7.3122                 7.3317
 AlphaG Fr= 1--     -0.0399                -0.0256                -0.3034
 Gamma2 Fr= 1--     -1.4867                 0.9725                -2.6710
 Delta2 Fr= 1--      1.0818                 1.1588                -0.1050
 Raman1 Fr= 1--     125.628                205.097                255.240
 ROA1   Fr= 1--    -108.109                130.442               -259.780
 CID1   Fr= 1--      -0.861                  0.636                 -1.018
 Raman2 Fr= 1--      47.424                 87.746                 87.981
 ROA2   Fr= 1--     -44.336                 14.070                -63.265
 CID2   Fr= 1--      -0.935                  0.160                 -0.719
 Raman3 Fr= 1--      94.847                175.493                175.961
 ROA3   Fr= 1--    -108.109                130.442               -259.780
 CID3   Fr= 1--      -1.140                  0.743                 -1.476
 RC180  Fr= 1--       0.510                  0.711                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.01
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.02   0.02  -0.06     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.02
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.07
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.38   0.22  -0.51     0.05  -0.03   0.07
    16   1     0.01   0.01  -0.02    -0.29  -0.18   0.65    -0.00  -0.00   0.00
    17   1    -0.03   0.02  -0.04    -0.02   0.01  -0.02    -0.19   0.11  -0.26
    18   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.37  -0.23   0.82
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    28   1    -0.04  -0.07   0.19    -0.01  -0.01   0.03     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.28   0.81    -0.00  -0.00   0.01     0.00   0.01  -0.02
    32   1    -0.20   0.03   0.03    -0.00   0.00   0.00     0.01  -0.00  -0.00
    33   1     0.11  -0.38   0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3180.4236              3193.7799              3727.7406
 Red. masses --      1.0937                 1.0924                 1.0641
 Frc consts  --      6.5183                 6.5653                 8.7118
 IR Inten    --     14.8008                 5.5895                66.7496
 RamAct Fr= 1--    123.8131               108.9657               158.2390
  Dep-P Fr= 1--      0.1484                 0.1589                 0.2467
  Dep-U Fr= 1--      0.2584                 0.2742                 0.3958
 Alpha2 Fr= 1--      1.9219                 1.6467                 1.8926
 Beta2  Fr= 1--      5.3324                 4.9805                10.4386
 AlphaG Fr= 1--      0.3288                -0.0924                -0.4235
 Gamma2 Fr= 1--      3.1655                 1.2291                 4.6206
 Delta2 Fr= 1--     -0.3809                 0.6673                -1.7314
 Raman1 Fr= 1--     495.252                435.863                632.956
 ROA1   Fr= 1--     291.699                139.345                388.173
 CID1   Fr= 1--       0.589                  0.320                  0.613
 Raman2 Fr= 1--      63.989                 59.766                125.263
 ROA2   Fr= 1--      79.019                 24.159                124.746
 CID2   Fr= 1--       1.235                  0.404                  0.996
 Raman3 Fr= 1--     127.977                119.533                250.526
 ROA3   Fr= 1--     291.699                139.345                388.173
 CID3   Fr= 1--       2.279                  1.166                  1.549
 RC180  Fr= 1--      -0.483                 -0.452                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.03   0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.01    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.06  -0.01
    15   1     0.42  -0.24   0.55    -0.04   0.02  -0.05    -0.00   0.00  -0.00
    16   1    -0.27  -0.17   0.59     0.02   0.01  -0.04     0.00  -0.00  -0.00
    17   1     0.05  -0.03   0.07     0.53  -0.30   0.70     0.00  -0.00  -0.00
    18   1     0.01   0.01  -0.03    -0.14  -0.08   0.30    -0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.24   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.862066268.961776454.32596
           X            0.99974   0.02180   0.00655
           Y           -0.02114   0.99583  -0.08879
           Z           -0.00846   0.08863   0.99603
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05636     0.01382     0.01342
 Rotational constants (GHZ):           1.17430     0.28789     0.27962
 Zero-point vibrational energy     747300.4 (Joules/Mol)
                                  178.60908 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.51    55.66    69.07    87.25   130.95
          (Kelvin)            167.91   234.51   287.75   335.08   357.18
                              367.22   387.10   407.70   482.00   516.75
                              563.93   585.11   589.56   609.32   705.49
                              804.64   842.99   879.37   920.54   954.31
                             1027.03  1092.05  1129.34  1181.39  1192.12
                             1229.51  1231.11  1250.62  1295.94  1356.56
                             1381.12  1394.75  1400.95  1408.29  1441.51
                             1504.23  1524.87  1565.30  1593.95  1597.32
                             1656.73  1707.95  1731.40  1747.70  1759.92
                             1780.35  1791.31  1867.56  1884.50  1929.43
                             1937.01  1947.18  1975.54  1980.31  1997.33
                             2022.33  2040.14  2050.68  2102.17  2142.72
                             2143.59  2152.00  2155.15  2160.89  2170.95
                             2176.53  2232.77  2326.54  2385.55  2603.37
                             4320.24  4353.77  4355.71  4363.66  4381.73
                             4407.82  4437.70  4439.77  4443.43  4448.75
                             4456.09  4470.29  4505.00  4551.80  4558.47
                             4575.92  4595.14  5363.39
 
 Zero-point correction=                           0.284632 (Hartree/Particle)
 Thermal correction to Energy=                    0.300138
 Thermal correction to Enthalpy=                  0.301082
 Thermal correction to Gibbs Free Energy=         0.240431
 Sum of electronic and zero-point Energies=           -656.737336
 Sum of electronic and thermal Energies=              -656.721830
 Sum of electronic and thermal Enthalpies=            -656.720886
 Sum of electronic and thermal Free Energies=         -656.781537
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.339             58.569            127.650
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.497
 Vibrational            186.562             52.607             53.278
 Vibration     1          0.593              1.985              6.454
 Vibration     2          0.594              1.981              5.325
 Vibration     3          0.595              1.978              4.898
 Vibration     4          0.597              1.973              4.436
 Vibration     5          0.602              1.956              3.638
 Vibration     6          0.608              1.936              3.154
 Vibration     7          0.623              1.888              2.515
 Vibration     8          0.638              1.840              2.133
 Vibration     9          0.654              1.791              1.857
 Vibration    10          0.662              1.766              1.743
 Vibration    11          0.666              1.754              1.694
 Vibration    12          0.673              1.730              1.602
 Vibration    13          0.682              1.704              1.513
 Vibration    14          0.716              1.606              1.236
 Vibration    15          0.734              1.556              1.126
 Vibration    16          0.759              1.487              0.993
 Vibration    17          0.771              1.456              0.938
 Vibration    18          0.774              1.449              0.927
 Vibration    19          0.786              1.419              0.880
 Vibration    20          0.846              1.271              0.683
 Vibration    21          0.915              1.119              0.525
 Vibration    22          0.943              1.062              0.475
 Vibration    23          0.970              1.008              0.431
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256657-110       -110.590646       -254.644373
 Total V=0       0.214154D+21         20.330727         46.813229
 Vib (Bot)       0.781627-125       -125.107000       -288.069514
 Vib (Bot)    1  0.945881D+01          0.975836          2.246946
 Vib (Bot)    2  0.534842D+01          0.728226          1.676801
 Vib (Bot)    3  0.430722D+01          0.634197          1.460293
 Vib (Bot)    4  0.340516D+01          0.532137          1.225291
 Vib (Bot)    5  0.225860D+01          0.353838          0.814743
 Vib (Bot)    6  0.175235D+01          0.243622          0.560960
 Vib (Bot)    7  0.123917D+01          0.093132          0.214445
 Vib (Bot)    8  0.996983D+00         -0.001312         -0.003021
 Vib (Bot)    9  0.844621D+00         -0.073338         -0.168868
 Vib (Bot)   10  0.786827D+00         -0.104121         -0.239748
 Vib (Bot)   11  0.762766D+00         -0.117608         -0.270803
 Vib (Bot)   12  0.718659D+00         -0.143477         -0.330368
 Vib (Bot)   13  0.677282D+00         -0.169230         -0.389667
 Vib (Bot)   14  0.556014D+00         -0.254914         -0.586961
 Vib (Bot)   15  0.510618D+00         -0.291904         -0.672133
 Vib (Bot)   16  0.457399D+00         -0.339705         -0.782200
 Vib (Bot)   17  0.436127D+00         -0.360387         -0.829822
 Vib (Bot)   18  0.431840D+00         -0.364678         -0.839701
 Vib (Bot)   19  0.413501D+00         -0.383523         -0.883095
 Vib (Bot)   20  0.338046D+00         -0.471024         -1.084573
 Vib (Bot)   21  0.278113D+00         -0.555779         -1.279729
 Vib (Bot)   22  0.258538D+00         -0.587475         -1.352711
 Vib (Bot)   23  0.241490D+00         -0.617100         -1.420926
 Vib (V=0)       0.652188D+06          5.814373         13.388088
 Vib (V=0)    1  0.997201D+01          0.998783          2.299783
 Vib (V=0)    2  0.587174D+01          0.768767          1.770151
 Vib (V=0)    3  0.483615D+01          0.684499          1.576118
 Vib (V=0)    4  0.394167D+01          0.595680          1.371605
 Vib (V=0)    5  0.281328D+01          0.449213          1.034350
 Vib (V=0)    6  0.232229D+01          0.365917          0.842554
 Vib (V=0)    7  0.183625D+01          0.263931          0.607723
 Vib (V=0)    8  0.161534D+01          0.208263          0.479543
 Vib (V=0)    9  0.148152D+01          0.170708          0.393069
 Vib (V=0)   10  0.143225D+01          0.156020          0.359249
 Vib (V=0)   11  0.141204D+01          0.149846          0.345034
 Vib (V=0)   12  0.137548D+01          0.138455          0.318805
 Vib (V=0)   13  0.134185D+01          0.127704          0.294049
 Vib (V=0)   14  0.124776D+01          0.096133          0.221354
 Vib (V=0)   15  0.121465D+01          0.084453          0.194460
 Vib (V=0)   16  0.117765D+01          0.071017          0.163524
 Vib (V=0)   17  0.116348D+01          0.065759          0.151416
 Vib (V=0)   18  0.116067D+01          0.064709          0.148998
 Vib (V=0)   19  0.114883D+01          0.060257          0.138746
 Vib (V=0)   20  0.110355D+01          0.042793          0.098534
 Vib (V=0)   21  0.107214D+01          0.030252          0.069659
 Vib (V=0)   22  0.106289D+01          0.026487          0.060989
 Vib (V=0)   23  0.105526D+01          0.023361          0.053790
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.282284D+07          6.450686         14.853254
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665555444444443333333222222111100009999998888877766655444433322222211     
     2        98663099888643220                           051510099986210877544194321085108640776640655228516418592109538654306196432
     8        40841772864453763                           987239286091586863361085735371088052949031965915943016904072953958303711892
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXX X XXXXXXXXXXXXXXXXXXXXXXXXX   X  XXXX
     X             XX X   X XX                            X                           X    X X      X        XXX                     
     X              X X     X                             X                           X    X                 X X                     
     X              X                                     X                           X    X                                         
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016721    0.000003309    0.000007701
      2        6          -0.000000552    0.000005020   -0.000017200
      3        6           0.000019258   -0.000000280    0.000000871
      4        6          -0.000003579   -0.000013293    0.000002095
      5        6          -0.000009958    0.000004959    0.000004556
      6        6           0.000014302   -0.000000482    0.000005919
      7        6          -0.000008578   -0.000001339    0.000003270
      8        6           0.000000922    0.000002956    0.000001705
      9        6           0.000001363   -0.000004764   -0.000011996
     10        6           0.000002443   -0.000007684    0.000007161
     11        6           0.000018029    0.000014361    0.000001318
     12        6          -0.000004360    0.000008445   -0.000092390
     13        8          -0.000005339    0.000016095    0.000037841
     14        8           0.000003966   -0.000018816    0.000052425
     15        1           0.000002993   -0.000002129   -0.000001545
     16        1          -0.000003488    0.000003544    0.000000234
     17        1           0.000005593   -0.000000754    0.000002399
     18        1          -0.000002863   -0.000003471    0.000000722
     19        1           0.000004998   -0.000002235    0.000001084
     20        1           0.000001306    0.000000637   -0.000000732
     21        1           0.000003226    0.000001055   -0.000000580
     22        1          -0.000003331    0.000001944    0.000005926
     23        1           0.000000781    0.000000535   -0.000001448
     24        1          -0.000001727    0.000000484   -0.000000227
     25        1          -0.000000353   -0.000001486   -0.000002116
     26        1          -0.000000379    0.000000426   -0.000000489
     27        1          -0.000000225    0.000004190   -0.000002484
     28        1          -0.000001076    0.000001824   -0.000000275
     29        6          -0.000011055   -0.000009114   -0.000000093
     30        1           0.000000292    0.000003588   -0.000001558
     31        1          -0.000003176   -0.000004359    0.000005838
     32        1          -0.000001519   -0.000001361   -0.000005922
     33        1          -0.000001194   -0.000001800   -0.000002008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092390 RMS     0.000012937
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.218240D+03 -0.171584D+01 -0.616420D+00
      2  -0.171584D+01  0.140714D+03 -0.701286D+01
      3  -0.616420D+00 -0.701286D+01  0.159128D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.429244D+01 -0.704747D+01  0.217994D+02
      2   0.101914D+02 -0.854943D+01  0.474392D+02
      3  -0.130668D+03 -0.349591D+02  0.125899D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.168672D+03  0.579849D+02 -0.375526D+01
      2  -0.936219D+02 -0.309563D+02  0.163611D+02
      3  -0.750497D+02 -0.270286D+02 -0.126059D+02
      4  -0.234174D+02  0.671809D+02 -0.262700D+02
      5  -0.830457D+01 -0.288123D+02  0.101640D+03
      6  -0.121929D+02  0.120306D+02 -0.272702D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118886D+02  0.757386D+00  0.130806D+01 -0.236793D+01  0.158476D+01
      2   0.757386D+00  0.216622D+01 -0.898149D+00  0.158476D+01 -0.364210D+01
      3   0.130806D+01 -0.898149D+00  0.326443D+01  0.200926D+01  0.231770D+01
                 6             7             8             9            10 
      1   0.200926D+01  0.152811D+02  0.159503D+01 -0.113863D+01  0.349911D+02
      2   0.231770D+01  0.159503D+01  0.769196D-01  0.148545D+01  0.165823D+01
      3   0.967799D+00 -0.113863D+01  0.148545D+01  0.966482D+00 -0.153202D+01
                11            12            13            14            15 
      1   0.165823D+01 -0.153202D+01 -0.572760D+00  0.450536D+01  0.108699D+01
      2   0.199393D+01 -0.733887D+00  0.450536D+01 -0.130807D+01 -0.114338D+00
      3  -0.733887D+00  0.315474D+01  0.108699D+01 -0.114338D+00 -0.842689D+00
                16            17            18            19            20 
      1  -0.366067D+01  0.789401D+00  0.153889D+01  0.158224D+02 -0.909534D+00
      2   0.789401D+00  0.297895D+00 -0.112310D+01 -0.909534D+00 -0.263495D+01
      3   0.153889D+01 -0.112310D+01 -0.661845D+00 -0.147452D+01  0.160787D+01
                21            22            23            24            25 
      1  -0.147452D+01 -0.463897D+01 -0.173645D+01 -0.270819D+00  0.133212D+02
      2   0.160787D+01 -0.173645D+01 -0.283355D+01  0.253320D+01 -0.219709D+01
      3  -0.205427D+01 -0.270819D+00  0.253320D+01  0.193431D+01  0.270851D+00
                26            27            28            29            30 
      1  -0.219709D+01  0.270851D+00 -0.333367D+02  0.112940D+01  0.101606D+01
      2   0.165644D+01  0.137372D+01  0.112940D+01 -0.206595D+01  0.206156D+00
      3   0.137372D+01  0.165389D+01  0.101606D+01  0.206156D+00 -0.290096D+01
                31            32            33            34            35 
      1   0.320258D+01 -0.512007D+01 -0.162939D+01  0.325358D+01 -0.139785D+01
      2  -0.512007D+01  0.877472D+00  0.407520D+00 -0.139785D+01 -0.211046D+00
      3  -0.162939D+01  0.407520D+00  0.166042D+00 -0.803072D+00 -0.802859D+00
                36            37            38            39            40 
      1  -0.803072D+00  0.115198D+02 -0.987072D+00 -0.880209D+00  0.497607D+01
      2  -0.802859D+00 -0.987072D+00 -0.116633D+01 -0.449984D+00 -0.183719D+01
      3   0.508794D+00 -0.880209D+00 -0.449984D+00 -0.349758D+01 -0.109012D+01
                41            42            43            44            45 
      1  -0.183719D+01 -0.109012D+01 -0.154461D+02  0.418354D+00  0.852534D+00
      2   0.249828D+01 -0.223618D+01  0.418354D+00 -0.108421D+01 -0.102020D+01
      3  -0.223618D+01 -0.125752D+01  0.852534D+00 -0.102020D+01 -0.138201D+01
                46            47            48            49            50 
      1  -0.141536D+02  0.918973D+00  0.843599D+00  0.631694D+01  0.221715D+01
      2   0.918973D+00  0.114150D+01 -0.121996D-02  0.221715D+01  0.184008D+01
      3   0.843599D+00 -0.121996D-02  0.194281D+01 -0.504498D+00 -0.297144D+01
                51            52            53            54            55 
      1  -0.504498D+00 -0.117806D+02  0.538370D+00 -0.530259D+00 -0.176483D+02
      2  -0.297144D+01  0.538370D+00 -0.166365D+01 -0.100151D+01 -0.307821D+01
      3  -0.218221D+01 -0.530259D+00 -0.100151D+01 -0.165964D+01 -0.313381D+00
                56            57            58            59            60 
      1  -0.307821D+01 -0.313381D+00 -0.839307D+01 -0.764717D+01 -0.332447D+00
      2  -0.420294D+01 -0.318353D-01 -0.764717D+01  0.210524D+00 -0.210609D+01
      3  -0.318353D-01 -0.177287D+01 -0.332447D+00 -0.210609D+01  0.197096D+01
                61            62            63            64            65 
      1  -0.177466D+01 -0.595073D+00 -0.346209D+01 -0.421568D+01  0.472732D+01
      2  -0.595073D+00 -0.277866D+01  0.332782D+01  0.472732D+01  0.352981D+01
      3  -0.346209D+01  0.332782D+01  0.485118D+01  0.244752D+01 -0.301554D+00
                66            67            68            69            70 
      1   0.244752D+01  0.151708D+02  0.572067D+01 -0.871653D-01  0.584363D+01
      2  -0.301554D+00  0.572067D+01  0.194865D+01  0.357225D+01  0.746335D+00
      3   0.111186D+01 -0.871653D-01  0.357225D+01 -0.321119D+01  0.229889D+00
                71            72            73            74            75 
      1   0.746335D+00  0.229889D+00  0.285573D+01 -0.357532D+01 -0.252609D+01
      2   0.361980D+01 -0.288986D+01 -0.357532D+01 -0.356184D+01 -0.112055D+00
      3  -0.288986D+01 -0.469568D+01 -0.252609D+01 -0.112055D+00 -0.168004D+01
                76            77            78            79            80 
      1  -0.544241D+01 -0.477661D+01 -0.994905D-01 -0.266739D+01  0.230756D+00
      2  -0.477661D+01 -0.148469D+01 -0.463655D+01  0.230756D+00 -0.317372D+01
      3  -0.994905D-01 -0.463655D+01  0.329235D+01 -0.487356D+00  0.274654D+01
                81            82            83            84            85 
      1  -0.487356D+00  0.321297D+01 -0.404013D+01 -0.136864D+01 -0.565875D+01
      2   0.274654D+01 -0.404013D+01 -0.399742D+01  0.376602D+00 -0.405958D+01
      3   0.252142D+01 -0.136864D+01  0.376602D+00 -0.108916D+01 -0.173598D+00
                86            87            88            89            90 
      1  -0.405958D+01 -0.173598D+00 -0.223106D+01 -0.942550D+00 -0.770455D+00
      2  -0.285139D+01 -0.254903D+01 -0.942550D+00 -0.344444D+01  0.210328D+01
      3  -0.254903D+01  0.343784D+01 -0.770455D+00  0.210328D+01  0.640741D+01
                91            92            93            94            95 
      1   0.836445D+01  0.173304D+01  0.215699D+01 -0.424077D+01  0.679933D+01
      2   0.173304D+01  0.217150D+01  0.431278D+00  0.679933D+01 -0.475188D+01
      3   0.215699D+01  0.431278D+00  0.169460D+01  0.168177D+01  0.726858D+00
                96            97            98            99           100 
      1   0.168177D+01  0.382594D+01  0.233198D+01  0.264692D+01  0.636054D+00
      2   0.726858D+00  0.233198D+01  0.744939D+00  0.276835D+01 -0.129933D+01
      3   0.224903D+01  0.264692D+01  0.276835D+01 -0.320537D+01 -0.160819D+01
               101           102           103           104           105 
      1  -0.129933D+01 -0.160819D+01 -0.504343D+00 -0.106777D+01  0.152786D+01
      2  -0.194181D+00  0.869860D+00 -0.106777D+01  0.408838D+01 -0.195951D+01
      3   0.869860D+00  0.487886D+00  0.152786D+01 -0.195951D+01 -0.297437D+01
               106           107           108           109           110 
      1  -0.515439D+01  0.239001D+01  0.136036D+01 -0.249562D+01  0.189020D+01
      2   0.239001D+01 -0.490697D+01 -0.368816D+01  0.189020D+01 -0.800678D+00
      3   0.136036D+01 -0.368816D+01 -0.208620D+01  0.331052D+01 -0.795685D+00
               111           112           113           114           115 
      1   0.331052D+01  0.383056D+01 -0.313116D+01 -0.196455D+01  0.801248D+01
      2  -0.795685D+00 -0.313116D+01  0.462460D+01  0.400002D+01 -0.366946D+01
      3  -0.133636D+01 -0.196455D+01  0.400002D+01  0.342313D+01 -0.350072D+01
               116           117           118           119           120 
      1  -0.366946D+01 -0.350072D+01 -0.411289D-01 -0.207464D+00 -0.140585D+01
      2   0.539093D+01  0.435694D+01 -0.207464D+00  0.186695D+01 -0.234126D+00
      3   0.435694D+01  0.883023D+01 -0.140585D+01 -0.234126D+00 -0.126842D+00
               121           122           123           124           125 
      1  -0.945747D+00  0.318266D+01 -0.676102D+00 -0.442383D+01  0.903477D+00
      2   0.318266D+01 -0.773368D+01  0.151038D+00  0.903477D+00 -0.886089D+00
      3  -0.676102D+00  0.151038D+00 -0.221376D+00 -0.104154D+01  0.149967D+01
               126           127           128           129           130 
      1  -0.104154D+01  0.338347D+01 -0.104835D+01  0.249826D+01 -0.202818D+01
      2   0.149967D+01 -0.104835D+01  0.858218D+00 -0.105328D+01  0.749950D+00
      3  -0.401843D+01  0.249826D+01 -0.105328D+01  0.217789D+01 -0.135268D+01
               131           132           133           134           135 
      1   0.749950D+00 -0.135268D+01  0.251344D+01 -0.123835D+01  0.293345D+01
      2  -0.864822D+00  0.913901D+00 -0.123835D+01  0.161661D+01 -0.212242D+01
      3   0.913901D+00 -0.204749D+01  0.293345D+01 -0.212242D+01  0.496668D+01
               136           137           138           139           140 
      1  -0.199228D+01 -0.668552D+00  0.206235D+01 -0.355707D+00 -0.181220D+00
      2  -0.668552D+00 -0.300639D+00  0.659190D+00 -0.181220D+00 -0.480663D+00
      3   0.206235D+01  0.659190D+00 -0.222084D+01  0.670843D+00  0.772052D+00
               141           142           143           144           145 
      1   0.670843D+00  0.199467D+01  0.995410D+00 -0.269863D+01 -0.357886D+01
      2   0.772052D+00  0.995410D+00  0.157844D+01 -0.239487D+01  0.929830D+00
      3  -0.220371D+01 -0.269863D+01 -0.239487D+01  0.731909D+01 -0.205200D+01
               146           147           148           149           150 
      1   0.929830D+00 -0.205200D+01  0.153587D+01 -0.609791D+00  0.116097D+01
      2  -0.606164D+00  0.622324D+00 -0.609791D+00  0.599437D+00 -0.597767D+00
      3   0.622324D+00 -0.182612D+01  0.116097D+01 -0.597767D+00  0.180468D+01
               151           152           153           154           155 
      1  -0.244610D+01  0.894824D+00 -0.269778D+01  0.198396D+01  0.622700D+00
      2   0.894824D+00 -0.106446D+01  0.141692D+01  0.622700D+00  0.226326D+00
      3  -0.269778D+01  0.141692D+01 -0.479093D+01 -0.198564D+01 -0.324501D+00
               156           157           158           159           160 
      1  -0.198564D+01  0.722350D-01  0.152021D+00 -0.538456D+00 -0.234994D+01
      2  -0.324501D+00  0.152021D+00  0.255072D+00 -0.497230D+00 -0.853357D+00
      3   0.204779D+01 -0.538456D+00 -0.497230D+00  0.188785D+01  0.285377D+01
               161           162           163           164           165 
      1  -0.853357D+00  0.285377D+01  0.197897D+01 -0.469788D+00 -0.174095D+01
      2  -0.102975D+01  0.144624D+01 -0.469788D+00  0.977771D+00  0.549110D+00
      3   0.144624D+01 -0.722784D+01 -0.174095D+01  0.549110D+00  0.145548D+01
               166           167           168           169           170 
      1   0.130643D+01  0.163536D+01  0.552371D+00 -0.521878D+01  0.870300D+00
      2   0.163536D+01 -0.123559D+01 -0.128558D+01  0.870300D+00 -0.194664D+01
      3   0.552371D+00 -0.128558D+01 -0.138731D+01  0.321636D+01 -0.270850D+01
               171           172           173           174           175 
      1   0.321636D+01  0.372498D+01 -0.190363D+01  0.110839D+01 -0.269630D+01
      2  -0.270850D+01 -0.190363D+01  0.245026D+01 -0.455464D+00  0.338562D+01
      3  -0.662979D+01  0.110839D+01 -0.455464D+00  0.711811D+00 -0.635996D+00
               176           177           178           179           180 
      1   0.338562D+01 -0.635996D+00  0.511510D+01 -0.106951D+01  0.131055D+01
      2  -0.546646D+01  0.151481D+01 -0.106951D+01  0.292228D+01 -0.171370D+01
      3   0.151481D+01 -0.114303D+01  0.131055D+01 -0.171370D+01  0.101847D+01
               181           182           183           184           185 
      1   0.140566D+02 -0.149637D+01 -0.161504D+01 -0.384321D+01  0.112440D+01
      2  -0.149637D+01  0.116881D+01  0.204989D+00  0.112440D+01 -0.103780D+01
      3  -0.161504D+01  0.204989D+00  0.139669D+01  0.158621D+00 -0.662620D+00
               186           187           188           189           190 
      1   0.158621D+00 -0.245744D+01 -0.142639D-01  0.196902D+01 -0.664493D+01
      2  -0.662620D+00 -0.142639D-01 -0.754235D+00  0.148558D+00  0.433957D+00
      3  -0.726616D-01  0.196902D+01  0.148558D+00 -0.243836D+00  0.665601D+00
               191           192           193           194           195 
      1   0.433957D+00  0.665601D+00  0.807083D+00 -0.540693D+00 -0.568235D+00
      2  -0.127258D+01 -0.811311D+00 -0.540693D+00  0.969753D+00  0.866157D+00
      3  -0.811311D+00 -0.193200D+01 -0.568235D+00  0.866157D+00  0.400291D+00
               196           197           198           199           200 
      1   0.953491D+00 -0.292079D+00 -0.735306D+00  0.424621D+01  0.319933D+01
      2  -0.292079D+00  0.630036D+00  0.113821D+00  0.319933D+01  0.302764D+01
      3  -0.735306D+00  0.113821D+00  0.107786D+01  0.224060D+01  0.134553D+01
               201           202           203           204           205 
      1   0.224060D+01  0.398027D+01  0.402026D+01  0.200117D+01  0.113147D+01
      2   0.134553D+01  0.402026D+01  0.534093D+01  0.274885D+01  0.885572D+00
      3   0.186837D+01  0.200117D+01  0.274885D+01  0.210749D+01  0.153640D+01
               206           207           208           209           210 
      1   0.885572D+00  0.153640D+01  0.133553D+01 -0.662160D+00  0.161942D+01
      2   0.132786D+01  0.118611D+01 -0.662160D+00  0.131195D+01 -0.689935D+00
      3   0.118611D+01  0.131141D+01  0.161942D+01 -0.689935D+00  0.163502D+01
               211           212           213           214           215 
      1  -0.143997D+01  0.133410D+01 -0.133856D+01  0.157697D+01 -0.683880D+00
      2   0.133410D+01 -0.327170D+01  0.270330D+01 -0.683880D+00  0.210306D+01
      3  -0.133856D+01  0.270330D+01 -0.378210D+01  0.161473D+01 -0.216148D+01
               216           217           218           219           220 
      1   0.161473D+01  0.401607D+00  0.397486D+00 -0.114466D+01 -0.525290D-01
      2  -0.216148D+01  0.397486D+00  0.596126D+00 -0.845867D-01  0.368978D+00
      3   0.411482D+01 -0.114466D+01 -0.845867D-01  0.115226D+01  0.107931D+00
               221           222           223           224           225 
      1   0.368978D+00  0.107931D+00 -0.150344D+01 -0.306796D+00  0.142525D+01
      2  -0.829270D-01 -0.647877D+00 -0.306796D+00 -0.127109D+01  0.312786D+00
      3  -0.647877D+00 -0.147299D+01  0.142525D+01  0.312786D+00 -0.907944D+01
               226           227           228           229           230 
      1   0.375967D+01  0.378956D+01 -0.111122D+00  0.352485D+01  0.452414D+01
      2   0.378956D+01  0.423864D+01 -0.270033D+00  0.452414D+01  0.762474D+01
      3  -0.111122D+00 -0.270033D+00  0.944096D+00 -0.223295D+00 -0.166672D+00
               231           232           233           234           235 
      1  -0.223295D+00  0.103651D+01  0.793898D+00  0.818629D+00 -0.670888D+01
      2  -0.166672D+00  0.793898D+00  0.162369D+01  0.667873D+00  0.635631D+00
      3   0.689399D+00  0.818629D+00  0.667873D+00 -0.214443D+00  0.646104D+00
               236           237           238           239           240 
      1   0.635631D+00  0.646104D+00  0.102837D+01 -0.102003D+01  0.171933D+00
      2  -0.220230D+01  0.382946D+00 -0.102003D+01  0.153307D+01  0.133886D+00
      3   0.382946D+00 -0.106516D+01  0.171933D+00  0.133886D+00  0.160590D+00
               241           242           243           244           245 
      1   0.893780D+00 -0.553685D-01 -0.452441D+00  0.450969D-01 -0.855780D+00
      2  -0.553685D-01  0.699475D+00  0.131311D+00 -0.855780D+00 -0.651363D+00
      3  -0.452441D+00  0.131311D+00 -0.442023D+00  0.120700D+01  0.237741D+00
               246           247           248           249           250 
      1   0.120700D+01 -0.127838D+01 -0.115635D+01  0.401377D+00  0.263523D+01
      2   0.237741D+00 -0.115635D+01 -0.871489D+00  0.112178D+01  0.417114D+00
      3  -0.115110D+01  0.401377D+00  0.112178D+01 -0.158800D+01 -0.187008D+01
               251           252           253           254           255 
      1   0.417114D+00 -0.187008D+01  0.822814D+01 -0.126630D+01 -0.223689D+01
      2   0.150598D+01 -0.137321D+01 -0.126630D+01 -0.341356D+01 -0.116300D+01
      3  -0.137321D+01  0.528756D+01 -0.223689D+01 -0.116300D+01 -0.173119D+01
               256           257           258           259           260 
      1  -0.505447D+01 -0.289648D+01 -0.149058D+01 -0.773636D+01 -0.179077D+01
      2  -0.289648D+01  0.560878D+01 -0.323209D+00 -0.179077D+01 -0.193286D+01
      3  -0.149058D+01 -0.323209D+00 -0.247127D+01 -0.227391D+01 -0.246651D+01
               261           262           263           264           265 
      1  -0.227391D+01 -0.124347D+01  0.161712D+01 -0.704130D+00  0.274342D+01
      2  -0.246651D+01  0.161712D+01 -0.179406D+01  0.495544D+00 -0.394947D+01
      3   0.273274D+01 -0.704130D+00  0.495544D+00 -0.489587D+00  0.105831D+01
               266           267           268           269           270 
      1  -0.394947D+01  0.105831D+01 -0.917173D-01 -0.231718D+00 -0.396814D+00
      2   0.986706D+01 -0.215474D+01 -0.231718D+00  0.387316D+00  0.726980D+00
      3  -0.215474D+01  0.177589D+01 -0.396814D+00  0.726980D+00 -0.836098D+00
               271           272           273           274           275 
      1  -0.434288D+00  0.417785D+00 -0.439573D+00  0.140993D+01  0.235202D+00
      2   0.417785D+00  0.481927D+00  0.216290D+00  0.235202D+00  0.213330D+00
      3  -0.439573D+00  0.216290D+00  0.406341D+00  0.365933D+00 -0.641166D+00
               276           277           278           279           280 
      1   0.365933D+00 -0.183490D+01 -0.227237D+00 -0.702181D+00 -0.160484D+02
      2  -0.641166D+00 -0.227237D+00 -0.119332D+01  0.340805D+00 -0.164545D+01
      3   0.129217D+01 -0.702181D+00  0.340805D+00 -0.607777D+01 -0.236872D+00
               281           282           283           284           285 
      1  -0.164545D+01 -0.236872D+00  0.125923D+01 -0.115049D+01  0.170322D+00
      2  -0.126084D+01 -0.166593D+00 -0.115049D+01 -0.551973D+00  0.942746D-01
      3  -0.166593D+00 -0.999621D+00  0.170322D+00  0.942746D-01  0.354208D+00
               286           287           288           289           290 
      1   0.240188D+01  0.467831D+00 -0.106889D+01 -0.116043D+00 -0.744512D+00
      2   0.467831D+00  0.540613D+00  0.986244D-01 -0.744512D+00  0.191821D+01
      3  -0.106889D+01  0.986244D-01  0.653268D-01  0.245304D+00  0.371774D+00
               291           292           293           294           295 
      1   0.245304D+00 -0.165119D+01 -0.659450D+00 -0.149662D+00  0.986992D+00
      2   0.371774D+00 -0.659450D+00 -0.963138D+01 -0.102761D+01  0.296692D+00
      3   0.421629D+00 -0.149662D+00 -0.102761D+01 -0.105610D+01  0.525647D-01
               296           297 
      1   0.296692D+00  0.525647D-01
      2   0.618863D+00 -0.785380D+00
      3  -0.785380D+00 -0.382032D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.217005D+01  0.156127D+01  0.394510D+01  0.980205D+01  0.170274D+01
      2  -0.239899D+01 -0.215178D+01  0.381733D+01 -0.414601D+01 -0.179239D+01
      3   0.194124D+02 -0.169174D+01 -0.182009D+01  0.146669D+02  0.183620D+01
                 6             7             8             9            10 
      1  -0.233475D+01  0.232551D+01  0.395030D+01  0.164685D+00 -0.313006D+01
      2   0.634127D+00 -0.293134D+01  0.819482D+00 -0.446128D+00 -0.488717D+00
      3  -0.550351D+01 -0.169073D+02 -0.276962D+01 -0.523166D+00 -0.452987D+02
                11            12            13            14            15 
      1  -0.807911D+00  0.170883D+01  0.235413D+01  0.434249D+01 -0.944757D+01
      2   0.894851D+00 -0.257860D+01  0.563487D+01  0.163787D+00 -0.166159D+00
      3  -0.164069D+01  0.157335D+01  0.115569D+02 -0.252818D+01 -0.541703D+00
                16            17            18            19            20 
      1  -0.380138D+01 -0.287243D+01 -0.416538D+01 -0.270782D+01 -0.877313D+00
      2  -0.263163D+02 -0.180773D+01 -0.375691D+01  0.796236D+00 -0.281005D+01
      3  -0.182186D+00 -0.315276D+00 -0.184923D+01 -0.204800D+02  0.135995D+00
                21            22            23            24            25 
      1  -0.215926D+01 -0.499619D+01  0.169790D+01  0.808409D+00 -0.979931D+00
      2   0.782790D+01 -0.347106D+01  0.183464D+01 -0.170697D+01 -0.644331D+01
      3   0.316735D+01  0.162652D+02 -0.830833D+00  0.289291D+01 -0.151017D+02
                26            27            28            29            30 
      1   0.357488D+01  0.227635D+01  0.255338D+00  0.191705D+01 -0.288255D+01
      2  -0.110305D+01  0.120926D+01  0.473616D+01  0.983239D+00 -0.381343D+01
      3   0.507998D+01  0.177719D+01  0.423272D+02 -0.219461D+01 -0.278396D+01
                31            32            33            34            35 
      1  -0.495084D+00  0.420291D+01 -0.966105D+01 -0.612630D+01 -0.156132D+01
      2   0.494065D+01 -0.383970D+00  0.215661D+01 -0.297541D+02  0.535546D+01
      3   0.847202D+01  0.572710D+01  0.815687D+00 -0.853595D+01 -0.135255D+01
                36            37            38            39            40 
      1  -0.279693D+01 -0.462864D-01  0.154250D+01 -0.199566D+01  0.559448D+01
      2   0.182333D+01 -0.765393D+01 -0.113156D+01  0.420231D+01 -0.424742D+01
      3   0.274785D+01 -0.178830D+02 -0.232568D+00  0.324377D+01  0.574071D+01
                41            42            43            44            45 
      1  -0.242571D+01 -0.324510D+01  0.474315D+01  0.178206D+01 -0.175745D+01
      2  -0.237054D+01  0.126625D+01  0.998981D+00 -0.241515D+00 -0.234178D+01
      3   0.179014D+01 -0.234443D+01  0.243173D+02 -0.258799D+01 -0.506414D+01
                46            47            48            49            50 
      1   0.182840D+01 -0.237290D+01  0.135515D+01 -0.807951D+01 -0.243114D+01
      2   0.644450D+01 -0.262625D+01  0.939807D+01 -0.351114D+01  0.239471D+01
      3   0.251917D+02 -0.292967D+01  0.296674D+01  0.629450D+01 -0.161288D+01
                51            52            53            54            55 
      1  -0.231048D+01 -0.121824D+01  0.263077D+01 -0.990774D-01  0.181168D+01
      2  -0.354267D+01 -0.362008D+01 -0.127994D+01  0.257200D+01 -0.724673D+01
      3   0.268618D+01  0.183528D+02  0.475775D+00  0.280169D+01  0.305355D+02
                56            57            58            59            60 
      1   0.164244D+01 -0.161446D+00  0.400633D+01 -0.324910D+01  0.307321D+01
      2  -0.773526D+00 -0.395707D+01 -0.407030D+01 -0.126210D+02  0.919544D+01
      3   0.148697D+02 -0.107196D+00  0.451802D+02  0.109179D+02  0.869359D+01
                61            62            63            64            65 
      1  -0.363275D+00  0.841939D+01  0.430633D+01 -0.186649D+01  0.519569D-01
      2  -0.216538D+02  0.112625D+02  0.164890D+02  0.122811D+02 -0.396987D+00
      3   0.390445D+01  0.114037D+02 -0.645336D+01 -0.317831D+02 -0.180419D+02
                66            67            68            69            70 
      1  -0.102478D+01 -0.322748D+01 -0.249494D+01 -0.210463D+01  0.281841D+01
      2   0.776086D+01  0.487793D+01  0.169449D+02 -0.147782D+02 -0.872979D+00
      3   0.193420D+01 -0.328594D+02 -0.997459D+01 -0.147064D+02 -0.670803D+01
                71            72            73            74            75 
      1   0.560103D+01  0.228219D+01 -0.193211D+01 -0.665932D+01  0.105523D+01
      2  -0.123396D+02 -0.193650D+02 -0.190590D+02  0.541270D+01  0.202754D+01
      3  -0.157112D+02  0.992198D+01  0.191946D+02  0.100657D+02 -0.264110D+01
                76            77            78            79            80 
      1  -0.977104D+01  0.124955D+01 -0.152061D+02  0.896828D+00 -0.761602D+01
      2   0.687455D+01 -0.113067D+02  0.139302D+02  0.272033D+01  0.114047D+02
      3   0.188461D+02  0.286616D+01  0.177995D+02 -0.311002D+01  0.124620D+02
                81            82            83            84            85 
      1   0.358080D+01  0.602201D+01  0.425110D+01  0.190026D+01  0.614803D+01
      2   0.126008D+02  0.974836D+00 -0.370172D+01 -0.330642D+01 -0.710538D+01
      3  -0.112401D+02  0.266227D+02  0.509716D+01 -0.240976D+01  0.882047D+01
                86            87            88            89            90 
      1   0.973359D+01 -0.568998D+01  0.360094D+01  0.254434D+01 -0.169719D+02
      2  -0.146151D+02  0.134274D+02 -0.616733D+01  0.808476D+01  0.217513D+02
      3   0.239820D+01  0.105391D+02  0.122161D+01  0.124883D+02 -0.847661D+01
                91            92            93            94            95 
      1   0.141572D+01 -0.115255D+01  0.165803D+01  0.111773D+01 -0.229037D+01
      2  -0.133247D+02  0.494943D+00 -0.211732D+01 -0.291249D+00 -0.539943D+01
      3  -0.864891D+01  0.171306D+01 -0.857855D+00  0.392967D+02 -0.216594D+02
                96            97            98            99           100 
      1  -0.192905D+01  0.991378D+00  0.575418D+01  0.798894D-01  0.179356D+01
      2  -0.101686D+02 -0.181141D+02 -0.970261D+01  0.112902D+02  0.541630D+01
      3  -0.110703D+01  0.213137D+01 -0.917756D+00  0.664734D+01  0.168053D+02
               101           102           103           104           105 
      1   0.146363D+01 -0.386837D+01  0.403452D+00 -0.116477D+01  0.260621D+01
      2  -0.408180D+01  0.808115D+01 -0.207869D+01  0.613769D+01  0.179338D+02
      3  -0.175529D+02  0.200581D+01 -0.750014D+01  0.479003D+01 -0.465399D+01
               106           107           108           109           110 
      1  -0.324144D+01 -0.252688D+01  0.463716D+01 -0.383470D+01 -0.206719D+01
      2  -0.195577D+01  0.140685D+02  0.857907D+01 -0.804074D+01  0.207878D+01
      3   0.144207D+02 -0.165018D+02 -0.109745D+02 -0.111928D+01  0.183396D+00
               111           112           113           114           115 
      1   0.215477D+01 -0.213833D+01  0.439561D+01 -0.714657D+01  0.490217D+00
      2   0.404649D+01 -0.188835D+01 -0.106432D+02 -0.141917D+02  0.210969D+01
      3  -0.105952D+00 -0.637258D+01  0.192212D+02  0.127114D+02 -0.160295D+02
               116           117           118           119           120 
      1   0.725743D+01 -0.103029D+02  0.305083D+01  0.132595D+00  0.368377D+00
      2  -0.127775D+02 -0.302892D+02  0.401497D+01  0.698179D+00  0.194672D+01
      3   0.198136D+02  0.132613D+02 -0.419008D+01  0.510143D+01 -0.289774D+01
               121           122           123           124           125 
      1   0.312872D+00  0.327188D+01 -0.105534D+01 -0.127605D+01  0.679396D+01
      2   0.296037D+01  0.114033D+01 -0.642782D+00 -0.750189D+00 -0.437946D+01
      3   0.898608D+01 -0.222247D+02 -0.449478D+00  0.305789D+01 -0.411597D+01
               126           127           128           129           130 
      1   0.752410D+01  0.312653D+01  0.113974D+01  0.280898D+01 -0.202718D+01
      2   0.148332D+02 -0.471933D+01  0.167258D-01 -0.225891D+00  0.155347D+01
      3   0.548907D+01 -0.538002D+01 -0.999879D+00 -0.264083D+01  0.430283D+01
               131           132           133           134           135 
      1   0.254054D+00 -0.372456D+01  0.314737D+01  0.110633D+01  0.515262D+01
      2   0.187183D+00 -0.114914D+01 -0.256265D+01 -0.461993D+00  0.208714D+01
      3   0.510082D+00  0.776534D+00 -0.324374D+01 -0.142480D+01 -0.198825D+01
               136           137           138           139           140 
      1   0.213133D+01 -0.817884D+00 -0.252008D+01  0.994954D+00  0.232818D+00
      2   0.436799D+01  0.462546D+00 -0.105883D+01  0.473706D+00 -0.379940D-01
      3   0.285786D+01  0.769748D-01 -0.220096D+01  0.156744D+01 -0.157603D+00
               141           142           143           144           145 
      1  -0.366039D+01 -0.207972D+01  0.204914D+01  0.636849D+01 -0.236541D+01
      2   0.639759D+00 -0.450334D+01 -0.499536D+00 -0.571048D+00 -0.823048D+01
      3  -0.719875D+00 -0.263652D+01  0.862725D+00  0.233458D+01  0.339786D+00
               146           147           148           149           150 
      1   0.294498D+01 -0.986962D+00  0.133588D+01 -0.145821D+01 -0.538401D+00
      2   0.146696D+01 -0.158430D+01  0.209065D+01 -0.611949D+00  0.321124D+00
      3  -0.137898D+01  0.785035D+00  0.590375D+00  0.131456D+01 -0.234875D+00
               151           152           153           154           155 
      1  -0.214158D+01  0.416336D+01 -0.317050D+01 -0.253668D+01 -0.209573D+01
      2  -0.486595D+01  0.610607D+00  0.228977D+00  0.482500D+01  0.120725D+01
      3   0.646053D+00 -0.235562D+01  0.166535D+01 -0.620332D+00 -0.106611D+01
               156           157           158           159           160 
      1   0.135437D+01 -0.460270D+00 -0.118004D+01 -0.154272D+00  0.356752D+01
      2  -0.117515D+01  0.237279D+00  0.526574D-01  0.331271D+00 -0.514381D+01
      3   0.103511D+01  0.112858D+01 -0.420753D+00  0.326213D+00  0.148734D+01
               161           162           163           164           165 
      1   0.538590D+01 -0.577306D+01 -0.122719D+01 -0.514336D+00  0.143299D+01
      2  -0.569859D+00 -0.204934D+01 -0.615805D+01  0.104073D+01  0.592439D+01
      3   0.226262D+01 -0.198479D+01 -0.143670D+01 -0.428027D+01  0.552263D+00
               166           167           168           169           170 
      1  -0.154833D+00 -0.118996D+00 -0.229107D+01  0.270728D+01  0.887974D+00
      2   0.208363D+01 -0.331120D+01 -0.493522D+01  0.597482D+01 -0.954131D+01
      3  -0.571219D+01  0.222656D+01  0.300025D+01  0.383219D+01  0.588086D+01
               171           172           173           174           175 
      1  -0.712914D+01  0.163822D+01 -0.136276D+01  0.183357D+01 -0.245250D+01
      2  -0.224418D+02  0.690001D+01 -0.270687D+01  0.503738D+01 -0.331218D+01
      3   0.446096D+01  0.221861D+01 -0.758518D+01  0.334118D+00 -0.603038D+01
               176           177           178           179           180 
      1   0.390038D+01 -0.479319D+01  0.179434D+01 -0.219684D+01  0.305712D+01
      2   0.774227D+01 -0.564654D+01  0.465839D+01 -0.709212D+01  0.443750D+01
      3   0.148715D+02 -0.410861D+01 -0.327965D+01 -0.940987D+01  0.403028D+01
               181           182           183           184           185 
      1   0.265147D+00 -0.568242D+00 -0.233940D+00  0.166832D+00  0.473233D+00
      2  -0.350623D+01  0.597401D+00  0.936711D+01 -0.444001D+00 -0.312019D+01
      3   0.531742D+01 -0.895482D+01 -0.852186D+00 -0.106724D+01  0.475179D+01
               186           187           188           189           190 
      1  -0.109882D+01 -0.492806D+00  0.100288D+01 -0.194215D+00 -0.183278D+01
      2   0.198590D+00  0.599528D+01  0.781049D+00 -0.366318D+00  0.206265D+02
      3   0.327398D+01  0.838631D+00  0.408121D+01 -0.109702D+01 -0.104775D+02
               191           192           193           194           195 
      1  -0.263303D+01  0.129882D+01 -0.122522D+01  0.351090D+00  0.389819D-01
      2  -0.347401D+01 -0.763789D+01 -0.288383D+01  0.502153D+01  0.193955D+01
      3   0.331884D+01  0.403022D+01  0.407979D+01 -0.325213D+01 -0.352467D+01
               196           197           198           199           200 
      1   0.113537D+01  0.210581D+01 -0.371515D+00  0.354580D+01  0.529018D+01
      2  -0.809602D+01  0.841975D+00  0.497367D+01  0.244740D+01  0.419679D+00
      3   0.216514D+01 -0.200375D+01 -0.138025D+01 -0.942421D+01 -0.118263D+02
               201           202           203           204           205 
      1  -0.523927D+00  0.598899D+01  0.783884D+01  0.284836D+00  0.104058D+01
      2   0.616892D+01  0.879511D-02  0.511547D+01  0.704822D+01  0.240708D+01
      3  -0.383744D+01 -0.107973D+02 -0.200168D+02 -0.977898D+01 -0.155027D+01
               206           207           208           209           210 
      1   0.295125D+01  0.608074D+00 -0.256940D+01  0.335738D+01 -0.210843D+01
      2   0.281197D+01  0.333364D+01  0.561230D+01 -0.149181D+01  0.507897D+01
      3  -0.517313D+01 -0.375346D+01  0.241304D+01 -0.606458D+01  0.334573D+01
               211           212           213           214           215 
      1   0.297338D+01 -0.997546D+01  0.579550D+01 -0.239433D+01  0.824595D+01
      2  -0.143109D+01  0.927011D+01 -0.143414D+02  0.132963D+01 -0.795744D+01
      3  -0.339365D+01  0.142593D+02 -0.105547D+02  0.260345D+01 -0.884557D+01
               216           217           218           219           220 
      1  -0.627276D+01  0.159097D+01 -0.642996D+00 -0.173953D+01 -0.288896D+00
      2   0.142535D+02 -0.477870D+01 -0.288298D+00  0.355094D+01 -0.487928D+00
      3   0.881539D+01 -0.244480D+01 -0.249597D+01 -0.988575D+00 -0.340903D+00
               221           222           223           224           225 
      1   0.190798D+01  0.246446D+01 -0.173633D+01  0.509608D+01  0.165716D+02
      2  -0.197759D+01 -0.575785D+01 -0.370596D+00  0.422873D+00 -0.319830D+02
      3   0.133885D+01  0.191941D+01 -0.117314D+01  0.459928D+01 -0.113611D+01
               226           227           228           229           230 
      1  -0.432161D+01 -0.473078D+01 -0.315214D+01 -0.582772D+01 -0.889068D+01
      2   0.346581D+01  0.260556D+01  0.535062D+01  0.358443D+01  0.390312D+01
      3  -0.777836D+01 -0.117778D+02  0.131727D+01 -0.695682D+01 -0.226180D+02
               231           232           233           234           235 
      1  -0.394571D+01 -0.236371D+01 -0.177234D+01 -0.766059D+00 -0.685262D+00
      2   0.362020D+01  0.348290D+01  0.284596D+01  0.578504D-01 -0.839609D+01
      3   0.480407D+00 -0.105350D+01 -0.554110D+01 -0.130479D+01 -0.219143D+02
               236           237           238           239           240 
      1   0.197925D+01  0.257723D+01  0.102050D+01 -0.155443D+01 -0.100467D+01
      2   0.214558D+01 -0.109494D+01  0.202210D+01 -0.103680D+01 -0.389947D+00
      3   0.702651D+01 -0.156429D+00  0.697288D+01 -0.656366D+01 -0.544440D+00
               241           242           243           244           245 
      1   0.171177D+01  0.591667D+00  0.244112D+00 -0.425369D-01 -0.445206D+00
      2  -0.300253D+01 -0.190956D+00 -0.210598D+01 -0.499874D+01 -0.493705D+00
      3   0.133207D+01 -0.263921D+01 -0.151351D+01 -0.314253D+01 -0.218501D+01
               246           247           248           249           250 
      1  -0.628812D+00 -0.147599D+00  0.304648D+00 -0.172599D+01 -0.517405D+00
      2   0.395967D+01 -0.716461D-01 -0.276515D+01  0.538397D+01  0.108044D+01
      3   0.139072D+00 -0.823277D+00 -0.191517D+01  0.288054D+01 -0.834384D+00
               251           252           253           254           255 
      1   0.230576D+01  0.246404D+01 -0.179686D+01  0.671692D+00 -0.239258D+01
      2   0.433826D+01 -0.165119D+02  0.202532D+02  0.489684D+01  0.876302D+01
      3   0.437853D+01 -0.315121D+01 -0.175619D+02 -0.124852D+02 -0.719551D+00
               256           257           258           259           260 
      1  -0.156992D+01 -0.624044D+01 -0.583175D+01 -0.115342D+01 -0.106667D+01
      2   0.452257D+01 -0.321298D+00  0.853828D+01  0.629583D+01  0.949349D+01
      3  -0.283160D+01  0.258242D+02  0.147924D+01  0.195589D+01 -0.232520D+01
               261           262           263           264           265 
      1   0.796907D+01  0.153866D+00  0.374211D+00  0.995740D+00  0.396439D+00
      2  -0.156350D+02  0.153603D+01 -0.101134D+01  0.162281D+01 -0.225088D+01
      3  -0.656885D+01  0.322765D+01 -0.394721D+01  0.146581D+01 -0.828806D+01
               266           267           268           269           270 
      1  -0.315444D+01 -0.398763D+01 -0.454714D+00  0.646210D+00 -0.411563D+00
      2   0.600370D+01 -0.625163D+01  0.579541D+00 -0.179752D+01  0.222355D+01
      3   0.311627D+02 -0.673344D+01 -0.576879D+00  0.149327D+01  0.220282D+01
               271           272           273           274           275 
      1  -0.177074D+01 -0.735878D+00  0.422499D+00 -0.659277D-01 -0.243857D+01
      2   0.449690D+01  0.198679D+00 -0.229695D+01  0.129184D+01  0.323724D+01
      3   0.225430D+01  0.908194D+00  0.934831D+00  0.478286D+00  0.769684D+00
               276           277           278           279           280 
      1   0.201227D+01 -0.190696D+00  0.466384D+01 -0.103616D+02  0.824675D+00
      2  -0.552911D+01 -0.246240D+01 -0.242748D+01  0.243840D+02 -0.950691D+01
      3  -0.272242D+01  0.118215D+01 -0.428271D+01  0.287906D+01  0.160611D+02
               281           282           283           284           285 
      1   0.718547D+00 -0.184435D+01  0.907956D+00  0.510207D+00  0.681737D-01
      2  -0.144596D+00  0.792163D+01 -0.670376D+00 -0.104730D+01 -0.124111D+01
      3  -0.637984D+01 -0.748179D+00 -0.492309D+01 -0.549646D+00  0.325462D+00
               286           287           288           289           290 
      1  -0.187545D+01  0.862859D+00 -0.124587D+00  0.104183D+01 -0.554510D+00
      2   0.434563D+01 -0.686268D+00 -0.414902D+00 -0.999829D+00 -0.184783D+01
      3  -0.164279D+01  0.163128D+01  0.203977D+01 -0.433675D+01  0.686014D+01
               291           292           293           294           295 
      1   0.135288D+01 -0.284441D+00  0.620885D+01 -0.382688D+01  0.577392D+00
      2  -0.144513D+01 -0.795295D+00  0.421242D+01  0.387409D+01 -0.151056D+01
      3   0.444892D+00  0.376930D+01 -0.331157D+02 -0.267889D+01 -0.883487D+00
               296           297 
      1  -0.406839D+00 -0.125712D+00
      2   0.257814D+01  0.145736D+01
      3   0.135991D+01 -0.261535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.776331D+01  0.108230D+02 -0.223639D+02 -0.216420D+01 -0.148205D+02
      2   0.340003D+01 -0.100027D+02  0.756334D+01 -0.627883D+01  0.236815D+02
      3   0.436328D+01 -0.820276D+00  0.148006D+02  0.844303D+01 -0.886103D+01
      4   0.107963D+02 -0.413181D+00  0.706457D+01  0.877779D+01 -0.630814D+01
      5  -0.103772D+02  0.622734D+01 -0.138022D+01  0.110595D+02  0.282263D+01
      6   0.522853D+01  0.549407D+01 -0.502032D+01 -0.133150D+01 -0.700122D+01
                 6             7             8             9            10 
      1   0.727411D+01  0.402956D+02 -0.133958D+01  0.915275D+01  0.605381D+02
      2  -0.129937D+02 -0.124795D+02 -0.245573D+01 -0.505828D+01 -0.296843D+02
      3   0.571957D+01 -0.278161D+02  0.379530D+01 -0.409447D+01 -0.308538D+02
      4   0.175725D+01 -0.350558D+01  0.182804D+01  0.662964D+01 -0.106291D+02
      5   0.671380D+01  0.414284D+01  0.692573D+01 -0.519184D+01 -0.952349D+01
      6   0.431590D+01  0.113745D+02 -0.262150D+01  0.677023D+01  0.177722D+01
                11            12            13            14            15 
      1   0.927611D+01 -0.191508D+01  0.152442D+02 -0.206752D+01  0.393452D+01
      2  -0.859485D+01  0.421349D+01 -0.154165D+02  0.729134D+01 -0.707901D+00
      3  -0.681262D+00 -0.229841D+01  0.172374D+00 -0.522382D+01 -0.322662D+01
      4   0.119016D+01 -0.395928D+01  0.165908D+02 -0.766343D+01 -0.120446D+01
      5  -0.479967D+01  0.105302D+02  0.111678D+02 -0.644344D-02 -0.388971D+01
      6   0.743646D+00 -0.776578D+01 -0.425963D+01  0.374582D+01  0.905686D+01
                16            17            18            19            20 
      1  -0.972855D+01  0.424599D+01 -0.173359D+02  0.671337D+01 -0.124794D+02
      2  -0.252633D-01  0.532122D+01  0.115263D+01  0.154462D+00  0.131574D+02
      3   0.975381D+01 -0.956721D+01  0.161833D+02 -0.686783D+01 -0.678046D+00
      4   0.133021D+02 -0.102097D+01 -0.265934D+01 -0.846271D+01 -0.785121D+00
      5  -0.135787D+02 -0.384708D+01 -0.393146D+01  0.109474D+02  0.148403D+01
      6  -0.648635D+01  0.109943D+01 -0.347758D+01 -0.267739D+01 -0.632504D+01
                21            22            23            24            25 
      1   0.199814D+02  0.539955D+01 -0.117433D+02 -0.422956D+01 -0.208902D+02
      2  -0.123902D+02  0.354673D+01  0.182976D+02 -0.112322D+02  0.115034D+01
      3  -0.759121D+01 -0.894628D+01 -0.655432D+01  0.154618D+02  0.197399D+02
      4   0.235300D+01  0.161013D+02  0.668801D+01 -0.204145D+01 -0.204752D+01
      5  -0.115621D+02  0.504852D+00 -0.120607D+01 -0.131885D+01  0.821055D+01
      6   0.635751D+01  0.123621D+00 -0.786499D+01  0.580785D+01 -0.116604D+02
                26            27            28            29            30 
      1  -0.260373D+01  0.730700D+01  0.244661D+02 -0.556730D+01  0.354221D+01
      2  -0.444072D+01 -0.575527D+00 -0.572670D+01  0.829571D+01  0.378901D+00
      3   0.704444D+01 -0.673147D+01 -0.187394D+02 -0.272841D+01 -0.392111D+01
      4  -0.350293D+01 -0.646340D+01  0.186924D+02  0.333221D+01 -0.182501D+01
      5  -0.648450D+01  0.777439D+01  0.526307D+01 -0.145077D+01  0.807916D+01
      6   0.186961D+01  0.855838D+01  0.500943D+01 -0.117250D+01  0.609840D+01
                31            32            33            34            35 
      1  -0.363475D+01 -0.138385D+01  0.669314D+01 -0.605796D+01  0.809886D+01
      2   0.820751D+01  0.527363D+01 -0.221478D+01  0.117195D+01  0.325446D+01
      3  -0.457276D+01 -0.388978D+01 -0.447836D+01  0.488601D+01 -0.113533D+02
      4   0.145211D+02  0.510424D+00  0.163287D+01  0.983829D+01  0.561329D+01
      5   0.119084D+02  0.255048D+00  0.148008D+01 -0.158993D+02  0.357649D+01
      6  -0.180607D+01  0.333024D+01  0.636577D+01 -0.440026D+00  0.558004D-01
                36            37            38            39            40 
      1  -0.148653D+02 -0.281625D+01  0.347582D+01 -0.238653D+02 -0.111614D+02
      2   0.229204D+01 -0.178807D+01 -0.154247D+01  0.615199D+01 -0.165178D+01
      3   0.125733D+02  0.460432D+01 -0.193335D+01  0.177133D+02  0.128131D+02
      4   0.204758D+01  0.328466D+01 -0.143996D+01  0.355711D+01  0.406416D+01
      5   0.668566D+00 -0.158391D+02  0.303414D+01 -0.281283D+01  0.947422D+00
      6  -0.713687D+01  0.257611D+01  0.589399D+01  0.764232D+01  0.196777D+01
                41            42            43            44            45 
      1  -0.506206D+01 -0.567487D+01  0.238723D+02 -0.848251D+01  0.564682D+01
      2   0.547844D+01  0.377088D+00 -0.164618D+00  0.134224D+01 -0.718384D+00
      3  -0.416380D+00  0.529779D+01 -0.237077D+02  0.714028D+01 -0.492843D+01
      4  -0.137723D+01  0.315063D+01  0.388465D+01  0.476762D+01  0.623748D+01
      5   0.125544D+01  0.744770D+01  0.107892D+02  0.550718D+01 -0.555005D+01
      6   0.301355D+01  0.826500D+01  0.112120D+02  0.292443D+01  0.106619D+02
                46            47            48            49            50 
      1  -0.973047D+00 -0.713781D+01  0.193004D+02  0.151651D+02 -0.176453D+01
      2   0.819421D+01  0.290456D+01 -0.711614D+01 -0.450503D+01  0.245832D+01
      3  -0.722116D+01  0.423326D+01 -0.121842D+02 -0.106601D+02 -0.693793D+00
      4  -0.146351D+01  0.447495D+01 -0.202042D+01  0.101642D+02  0.537155D+01
      5   0.184483D+02 -0.462363D-01 -0.828438D+01 -0.964489D+01 -0.397388D+01
      6   0.930932D+00 -0.412673D+01 -0.874544D+00 -0.182290D+01  0.451475D+01
                51            52            53            54            55 
      1  -0.180688D+02 -0.258187D+02 -0.987754D+01  0.369381D+01 -0.363427D+02
      2   0.320593D+01  0.456153D+01  0.241979D+01  0.530775D+01  0.164660D+02
      3   0.148629D+02  0.212572D+02  0.745775D+01 -0.900156D+01  0.198767D+02
      4  -0.434233D+01  0.405625D+01 -0.261520D+01 -0.462316D+01 -0.625392D+01
      5  -0.239180D+01  0.906439D+01 -0.361277D+01  0.639745D+01 -0.416835D+01
      6   0.134424D+02 -0.517115D+01  0.701349D+01  0.136746D+02  0.577233D+00
                56            57            58            59            60 
      1  -0.933518D+01 -0.478871D+01 -0.404044D+02 -0.264924D+02  0.195753D+01
      2   0.611536D+01 -0.688259D-02  0.275897D+02  0.687154D+01  0.616216D+01
      3   0.321982D+01  0.479560D+01  0.128148D+02  0.196209D+02 -0.811969D+01
      4  -0.317801D+02  0.456233D+00 -0.511274D+02  0.125580D+02 -0.164809D+02
      5   0.119723D+00 -0.156422D+02 -0.509191D+00 -0.162337D+02  0.161893D+02
      6   0.135912D+00  0.132730D+01 -0.100416D+01  0.415518D+01 -0.623340D+01
                61            62            63            64            65 
      1  -0.159878D+02  0.118504D+01 -0.372692D+01 -0.964346D+02  0.310810D+02
      2  -0.279926D+01  0.711104D+01  0.725232D+01  0.525472D+02 -0.137223D+02
      3   0.187870D+02 -0.829608D+01 -0.352541D+01  0.438874D+02 -0.173587D+02
      4  -0.626114D+00 -0.214522D+02  0.303621D+02  0.308422D+02  0.288414D+02
      5  -0.268028D+02  0.269039D+02  0.381778D+02  0.251119D+02 -0.257512D+01
      6   0.135357D+02 -0.573625D+01 -0.112118D+02  0.128446D+01 -0.320042D+01
                66            67            68            69            70 
      1   0.248049D+02  0.693132D+02  0.264852D+02 -0.856320D+01  0.364312D+02
      2  -0.142294D+02 -0.315617D+02 -0.122757D+02  0.925700D+01 -0.142627D+02
      3  -0.105754D+02 -0.377515D+02 -0.142095D+02 -0.693802D+00 -0.221685D+02
      4  -0.144596D+01  0.342558D+02  0.110567D+02  0.261019D+02  0.276602D+01
      5   0.108027D+02 -0.193992D+01  0.276572D+02 -0.264274D+02 -0.241856D-01
      6   0.237759D+01  0.255415D+01  0.759702D+01 -0.547294D+01 -0.367032D+01
                71            72            73            74            75 
      1  -0.449712D+01  0.429810D+01  0.378863D+02 -0.242885D+02 -0.200337D+02
      2   0.932603D+01 -0.209418D+01 -0.203434D+02  0.521375D+01  0.113472D+02
      3  -0.482891D+01 -0.220392D+01 -0.175429D+02  0.190747D+02  0.868650D+01
      4   0.240048D+02 -0.207279D+02 -0.229821D+02 -0.341148D+02 -0.618393D+01
      5  -0.214254D+02 -0.363502D+02 -0.116240D+02 -0.839877D+01 -0.202909D+02
      6  -0.662471D+01 -0.605811D+01 -0.157204D+02 -0.934821D+01 -0.103660D+01
                76            77            78            79            80 
      1  -0.315349D+02 -0.287726D+02 -0.122254D+01 -0.202907D+02  0.134422D+01
      2   0.642128D+01  0.185225D+02 -0.135710D+02  0.104056D+02 -0.131075D+02
      3   0.251136D+02  0.102502D+02  0.147936D+02  0.988510D+01  0.117633D+02
      4  -0.439731D+02 -0.154129D+02 -0.398103D+02 -0.167497D+01 -0.266098D+02
      5  -0.923592D+01 -0.469503D+02  0.263511D+02 -0.115547D+02  0.224089D+02
      6  -0.160036D+02 -0.742390D+01 -0.973689D+01  0.187991D+01 -0.842924D+01
                81            82            83            84            85 
      1  -0.118617D+02  0.378818D+02 -0.225042D+02 -0.120252D+02 -0.289911D+02
      2   0.147579D+01 -0.370843D+02 -0.203135D+00  0.598126D+01 -0.625500D+00
      3   0.103859D+02 -0.797520D+00  0.227074D+02  0.604392D+01  0.296166D+02
      4   0.196195D+02 -0.188963D+02 -0.414832D+02  0.450681D-01 -0.415334D+02
      5   0.129784D+02 -0.150475D+02  0.645370D+01 -0.658339D+01  0.364635D+01
      6   0.144342D+02  0.141441D+01  0.477597D+01 -0.336878D+01  0.315263D+01
                86            87            88            89            90 
      1  -0.276003D+02  0.909464D+01 -0.145835D+02  0.309778D+01 -0.978144D-01
      2  -0.535493D+00 -0.634880D+01  0.936527D+00 -0.726605D+01  0.247405D+02
      3   0.281358D+02 -0.274584D+01  0.136470D+02  0.416827D+01 -0.246427D+02
      4  -0.341287D+02 -0.158308D+02 -0.107084D+02 -0.241916D+02  0.118288D+02
      5  -0.136195D+02  0.257430D+02 -0.414766D+01  0.153488D+02  0.519721D+02
      6  -0.653061D+01  0.120526D+02 -0.138260D+01  0.110420D+02  0.107137D+02
                91            92            93            94            95 
      1  -0.291440D+00 -0.227622D+01 -0.729271D+01 -0.821652D+01 -0.183473D+02
      2  -0.437788D+01 -0.142860D+01  0.123305D+01  0.108450D+02  0.713874D+01
      3   0.466932D+01  0.370482D+01  0.605966D+01 -0.262848D+01  0.112086D+02
      4  -0.170226D+02 -0.190738D+02 -0.521837D+01 -0.436026D+02  0.234308D+02
      5  -0.209791D+02 -0.329987D+01 -0.125354D+02 -0.125574D+02 -0.812411D+01
      6  -0.190867D+01 -0.720269D+01 -0.729831D+01 -0.262835D+01  0.329538D+01
                96            97            98            99           100 
      1  -0.832790D+01 -0.219283D+02 -0.867856D+01 -0.554864D+01  0.914011D+01
      2   0.477458D+01  0.475345D+01 -0.132341D+01  0.703749D+01 -0.308622D+01
      3   0.355332D+01  0.171749D+02  0.100020D+02 -0.148885D+01 -0.605389D+01
      4  -0.782212D+01 -0.226477D+02 -0.816112D+01 -0.228859D+02  0.922314D+01
      5  -0.202234D+02 -0.218741D+02 -0.217353D+02  0.214043D+02  0.123394D+02
      6  -0.386787D+01 -0.106148D+02 -0.522451D+01  0.781293D+01 -0.609918D+01
               101           102           103           104           105 
      1   0.238430D+01  0.380401D+01  0.174803D+02  0.567854D+01  0.124924D+01
      2  -0.989724D+00 -0.234025D+01 -0.171025D+02  0.256452D+01  0.334954D+01
      3  -0.139458D+01 -0.146376D+01 -0.377779D+00 -0.824306D+01 -0.459877D+01
      4   0.357627D+01 -0.434519D+01  0.161273D+01 -0.190643D+02  0.110123D+02
      5  -0.592490D+01 -0.329689D+01 -0.148039D+02  0.134947D+02  0.345318D+02
      6   0.484931D+01  0.731026D+01  0.736498D+01 -0.137245D+02 -0.198957D+02
               106           107           108           109           110 
      1   0.177354D+02 -0.357585D+00 -0.184886D+00  0.181587D+02 -0.142390D+02
      2  -0.171659D+00 -0.116139D+02  0.292727D+01 -0.109882D+02  0.680131D+01
      3  -0.175638D+02  0.119715D+02 -0.274238D+01 -0.717049D+01  0.743770D+01
      4  -0.157148D+02  0.337906D+02  0.266877D+02 -0.197677D+02  0.167910D+02
      5  -0.216756D+02  0.276449D+02  0.176375D+02 -0.289647D+02  0.953096D+01
      6   0.151855D+02 -0.231207D+02 -0.123422D+02  0.120017D+02 -0.320224D+01
               111           112           113           114           115 
      1  -0.214604D+02 -0.157717D+02 -0.789134D+01 -0.669541D+01 -0.297408D+02
      2   0.137843D+02  0.503310D+01  0.171261D+02  0.440333D+01  0.165691D+02
      3   0.767614D+01  0.107386D+02 -0.923476D+01  0.229208D+01  0.131717D+02
      4   0.124012D+02  0.288737D+02 -0.320704D+02 -0.244791D+02  0.279680D+02
      5   0.209533D+02  0.201414D+02 -0.268984D+02 -0.291432D+02  0.382751D+02
      6  -0.510467D+01 -0.932443D+01  0.262274D+02  0.271883D+02 -0.163384D+02
               116           117           118           119           120 
      1  -0.469008D+01 -0.567261D+01  0.860859D+01 -0.496157D+01  0.121989D+02
      2   0.823909D+01 -0.144373D+02 -0.731443D+01  0.899679D+01 -0.835546D+01
      3  -0.354901D+01  0.201099D+02 -0.129416D+01 -0.403522D+01 -0.384346D+01
      4  -0.351878D+02 -0.273285D+02 -0.502934D+00 -0.742966D+01 -0.297658D+01
      5  -0.305514D+02 -0.658461D+02  0.107306D+02  0.152737D+01  0.739550D+01
      6   0.292886D+02  0.370973D+02 -0.407671D+01 -0.210523D+01 -0.151123D+01
               121           122           123           124           125 
      1  -0.160536D+01 -0.251731D+01  0.349637D+01  0.180864D+02  0.120046D+01
      2   0.121352D+02 -0.211652D+02  0.559381D+00 -0.109845D+02 -0.318798D+00
      3  -0.105298D+02  0.236826D+02 -0.405575D+01 -0.710186D+01 -0.881662D+00
      4  -0.196502D+02  0.523590D+02 -0.153876D+01 -0.801074D+01  0.587033D+01
      5   0.333395D+01 -0.204531D+01 -0.188079D+01  0.171922D+02 -0.113698D+02
      6  -0.497921D+01  0.531656D+01  0.671864D+01 -0.458300D+01  0.132176D+02
               126           127           128           129           130 
      1  -0.131516D+01  0.231467D+01  0.229306D+01 -0.134745D+01 -0.110086D+00
      2  -0.763723D+01 -0.225444D+01 -0.246630D+01 -0.155958D+01  0.842614D+00
      3   0.895239D+01 -0.602304D-01  0.173243D+00  0.290703D+01 -0.732529D+00
      4  -0.107209D+02 -0.102525D+02  0.773887D+01 -0.811707D+01  0.510484D+01
      5   0.301823D+02  0.157072D+02 -0.570944D+01  0.142152D+02 -0.828909D+01
      6  -0.175500D+02 -0.876615D+01  0.591211D+01 -0.875499D+01  0.579197D+01
               131           132           133           134           135 
      1  -0.387952D+01  0.479042D+01 -0.474802D+01  0.798943D+01 -0.148004D+02
      2   0.193588D+01 -0.400851D-01 -0.167343D+01 -0.383813D+01 -0.192981D+01
      3   0.194364D+01 -0.475033D+01  0.642145D+01 -0.415130D+01  0.167302D+02
      4  -0.573791D+01  0.598047D+01 -0.861835D+01  0.752354D+01 -0.107867D+02
      5   0.516652D+01 -0.840614D+01  0.154493D+02 -0.799632D+01  0.208753D+02
      6  -0.640338D+01  0.880751D+01 -0.109373D+02  0.121784D+02 -0.192327D+02
               136           137           138           139           140 
      1  -0.302997D+01 -0.172857D+01  0.564509D+01 -0.248800D+01 -0.431838D+01
      2  -0.274050D+01  0.202070D+00  0.280006D+01 -0.571773D+00  0.654463D+00
      3   0.577047D+01  0.152651D+01 -0.844515D+01  0.305977D+01  0.366392D+01
      4   0.542125D+01  0.366389D+01 -0.555044D+01  0.208250D+01  0.148425D+01
      5  -0.895878D+01 -0.341186D+01  0.116559D+02 -0.318164D+01 -0.225913D+01
      6  -0.610976D+01 -0.345402D+01  0.656778D+01 -0.284824D+01 -0.483924D+01
               141           142           143           144           145 
      1   0.815877D+01  0.787518D+01  0.108832D+02 -0.294613D+02  0.277568D+01
      2   0.556901D+00  0.194340D+01 -0.287469D+01 -0.527530D+01 -0.586791D+01
      3  -0.871567D+01 -0.981859D+01 -0.800848D+01  0.347366D+02  0.309223D+01
      4  -0.271857D+01 -0.573411D+01 -0.532180D+01  0.820107D+01 -0.111826D+01
      5   0.363988D+01  0.104141D+02  0.513405D+01 -0.166859D+02  0.119574D+02
      6   0.861701D+01  0.886585D+01  0.129535D+02 -0.242701D+02 -0.718432D+00
               146           147           148           149           150 
      1   0.398783D+00 -0.117120D+01  0.821018D+00 -0.164007D+01  0.502348D+01
      2   0.944566D+00 -0.474107D+01  0.211986D+01 -0.396368D+00  0.280440D+01
      3  -0.134335D+01  0.591226D+01 -0.294088D+01  0.203644D+01 -0.782788D+01
      4   0.327783D+01 -0.926667D+00  0.241597D+01 -0.307645D+01  0.107798D+01
      5  -0.294426D+01  0.103812D+02 -0.432108D+01  0.322069D+01 -0.656038D+01
      6   0.151959D+01 -0.847735D+00  0.775740D+00 -0.274621D+01  0.217068D+01
               151           152           153           154           155 
      1  -0.394902D+01  0.404243D+01 -0.136497D+02 -0.124892D+00  0.586979D+00
      2  -0.612350D+01  0.140038D+01 -0.964093D+01 -0.569159D+01 -0.148356D+01
      3   0.100725D+02 -0.544281D+01  0.232906D+02  0.581648D+01  0.896580D+00
      4  -0.128421D+01  0.252547D+01 -0.163225D+01  0.120623D+01  0.267266D+01
      5   0.127751D+02 -0.407976D+01  0.162189D+02 -0.984970D+01 -0.230488D+01
      6  -0.155227D+01  0.455797D+01 -0.320093D+01  0.841853D+00 -0.140475D+01
               156           157           158           159           160 
      1   0.275514D+01 -0.234199D+01 -0.290133D+01  0.689105D+01  0.411397D+01
      2   0.587560D+01 -0.403920D+00 -0.567890D+00  0.300588D+01  0.754260D+01
      3  -0.863074D+01  0.274591D+01  0.346922D+01 -0.989694D+01 -0.116566D+02
      4  -0.530792D+00  0.114722D+01  0.911433D+00 -0.150653D+01 -0.205097D+01
      5   0.124241D+02 -0.204035D+01 -0.258766D+01  0.356664D+01  0.130569D+02
      6  -0.163858D+01 -0.105012D+01 -0.231726D+01  0.147915D+01  0.794006D-01
               161           162           163           164           165 
      1   0.341841D+01 -0.229160D+02  0.109016D+02 -0.289188D+01 -0.889384D+01
      2   0.230844D+01 -0.164367D+02 -0.835845D+01  0.938044D+00  0.635545D+01
      3  -0.572685D+01  0.393527D+02 -0.254320D+01  0.195383D+01  0.253839D+01
      4  -0.336677D+01  0.197676D+01 -0.690731D+01  0.109865D+02  0.741728D+01
      5   0.399773D+01 -0.211711D+02 -0.163342D+02  0.560135D+01  0.169634D+02
      6   0.476619D+01 -0.669238D-02  0.494592D+01 -0.194565D+01 -0.317418D+01
               166           167           168           169           170 
      1   0.466070D+01  0.131619D+01 -0.255311D+01 -0.173458D+02 -0.388746D+01
      2  -0.355840D+01  0.799114D+00  0.131969D+01  0.146624D+02  0.561689D+00
      3  -0.110230D+01 -0.211530D+01  0.123343D+01  0.268341D+01  0.332577D+01
      4   0.128290D+02 -0.103421D+02 -0.935914D+01  0.144273D+02 -0.156650D+02
      5   0.543979D+01 -0.929526D+01 -0.977233D+01  0.297251D+02 -0.202228D+02
      6  -0.360008D+01  0.677571D+01  0.989087D+01 -0.103936D+02  0.122870D+02
               171           172           173           174           175 
      1  -0.265827D+01  0.217195D+02 -0.106727D+02  0.652103D+01 -0.113773D+02
      2  -0.115216D+02 -0.465824D+01  0.137614D+00 -0.188675D+01 -0.393390D+01
      3   0.141798D+02 -0.170613D+02  0.105351D+02 -0.463427D+01  0.153112D+02
      4  -0.235959D+02 -0.233104D+02  0.264523D+02 -0.625295D+01  0.343144D+02
      5  -0.500757D+02  0.940599D+01 -0.425686D+01  0.804760D+01 -0.553693D+01
      6   0.194967D+02 -0.314670D+01  0.558059D+00 -0.176107D+01  0.253875D+01
               176           177           178           179           180 
      1   0.438309D+01 -0.565380D+00  0.195015D+02 -0.106195D+01  0.272974D+01
      2   0.172510D+02 -0.442548D+01 -0.511133D+01 -0.657936D+01  0.116675D+00
      3  -0.216341D+02  0.499086D+01 -0.143902D+02  0.764132D+01 -0.284642D+01
      4  -0.459909D+02  0.124143D+02 -0.165486D+02  0.245312D+02 -0.148312D+02
      5   0.113186D+02 -0.892254D+01  0.112419D+02 -0.131134D+02  0.816244D+01
      6  -0.481569D+01  0.564987D+01 -0.497295D+01  0.650792D+01 -0.420656D+01
               181           182           183           184           185 
      1   0.149339D+03 -0.179535D+02 -0.169757D+02 -0.296811D+02  0.137952D+02
      2  -0.758866D+02  0.944342D+01  0.827360D+01  0.146670D+02 -0.503921D+01
      3  -0.734526D+02  0.851012D+01  0.870213D+01  0.150140D+02 -0.875601D+01
      4  -0.133979D+02  0.136815D+02  0.158562D+01  0.179893D+02 -0.869751D+01
      5  -0.194683D+02  0.226513D+01  0.165714D+02  0.265699D+01 -0.603889D+01
      6   0.649521D+00 -0.105248D+01  0.157486D+01 -0.134839D+01 -0.758299D-01
               186           187           188           189           190 
      1   0.311130D+01 -0.207178D+02  0.208759D+01  0.165250D+02 -0.461620D+02
      2  -0.216539D+01  0.117907D+02 -0.202369D+01 -0.101793D+02  0.229315D+02
      3  -0.945907D+00  0.892708D+01 -0.638913D-01 -0.634570D+01  0.232305D+02
      4  -0.564222D+01  0.500592D+00 -0.527568D+01 -0.215946D-01 -0.448719D+01
      5  -0.523567D+00  0.238547D+02 -0.291269D+00 -0.438813D+01 -0.111037D+02
      6   0.253521D+01 -0.637696D-01  0.271056D+01  0.831643D+00  0.602568D+01
               191           192           193           194           195 
      1   0.101149D+02  0.132591D+02  0.960747D+01 -0.712620D+01 -0.549022D+01
      2  -0.582210D+01 -0.206119D+01 -0.455212D+01  0.444233D+01  0.384024D+01
      3  -0.429281D+01 -0.111979D+02 -0.505534D+01  0.268388D+01  0.164998D+01
      4  -0.277889D+01 -0.130876D+01  0.261210D+01  0.349460D+01  0.562965D+01
      5  -0.136265D+01 -0.748229D+01  0.729886D+00  0.493016D+01 -0.160564D-01
      6  -0.539926D+01 -0.655333D+01 -0.182435D+01  0.425979D+01  0.506425D+01
               196           197           198           199           200 
      1   0.102893D+02 -0.290791D+01 -0.872552D+01  0.328609D+02  0.209182D+02
      2  -0.259659D+01  0.157467D+01  0.360352D+00 -0.140750D+02 -0.535842D+01
      3  -0.769273D+01  0.133324D+01  0.836516D+01 -0.187859D+02 -0.155598D+02
      4   0.724490D+00  0.362799D+01 -0.138850D+01  0.339628D+02  0.322390D+02
      5   0.245624D+01 -0.129213D+01  0.371492D+01  0.271808D+02  0.172529D+02
      6  -0.324233D+01  0.410009D+01  0.212811D+01  0.126417D+02  0.116847D+02
               201           202           203           204           205 
      1   0.133644D+02  0.250001D+02  0.154706D+02  0.617469D+01  0.695832D+01
      2  -0.927539D+01 -0.623671D+01  0.289262D+01 -0.286031D+01 -0.603234D+01
      3  -0.408902D+01 -0.187634D+02 -0.183632D+02 -0.331438D+01 -0.925981D+00
      4   0.139877D+02  0.408522D+02  0.491746D+02  0.243109D+02  0.969021D+01
      5   0.217322D+02  0.249792D+02  0.283349D+02  0.214424D+02  0.180984D+02
      6   0.800203D+01  0.157223D+02  0.211764D+02  0.150574D+02  0.729122D+01
               206           207           208           209           210 
      1   0.175683D+01  0.635702D+01  0.109262D+02 -0.631451D+01  0.125486D+02
      2  -0.175271D+01 -0.558689D+01 -0.928318D+01  0.587498D+01 -0.111676D+02
      3  -0.412156D-02 -0.770125D+00 -0.164298D+01  0.439532D+00 -0.138095D+01
      4   0.120690D+02  0.115167D+02 -0.692126D+01  0.127573D+02 -0.591945D+01
      5   0.120945D+02  0.143149D+02  0.174619D+02 -0.824948D+01  0.190123D+02
      6   0.105404D+02  0.759940D+01 -0.140025D+01  0.428959D+01 -0.166714D+01
               211           212           213           214           215 
      1  -0.115811D+02  0.670950D+01 -0.424088D+01  0.103906D+02 -0.160786D+01
      2   0.109288D+02 -0.925500D+01  0.149859D+02 -0.116096D+02  0.103992D+02
      3   0.652212D+00  0.254550D+01 -0.107451D+02  0.121901D+01 -0.879137D+01
      4   0.135943D+02 -0.264797D+02  0.223513D+02 -0.567880D+01  0.163350D+02
      5  -0.161726D+02  0.254117D+02 -0.339633D+02  0.198191D+02 -0.195233D+02
      6   0.521968D+01 -0.119506D+02  0.938551D+01 -0.231125D+01  0.976991D+01
               216           217           218           219           220 
      1   0.224728D+01  0.151154D+01  0.226905D+01 -0.861543D+01 -0.149465D+01
      2  -0.192673D+02 -0.285475D+01  0.463632D+00  0.703518D+01  0.302592D+01
      3   0.170200D+02  0.134321D+01 -0.273268D+01  0.158026D+01 -0.153127D+01
      4  -0.176007D+02  0.302908D+01  0.664147D+01 -0.255754D+01  0.440197D+01
      5   0.366520D+02 -0.107718D+02 -0.103572D+01  0.147045D+02  0.167526D+01
      6  -0.758640D+01 -0.252080D+01 -0.132012D+01  0.194245D+01 -0.729623D+00
               221           222           223           224           225 
      1   0.509194D+00  0.393501D-01 -0.863938D+01  0.189388D+01 -0.117062D+02
      2  -0.135971D+01 -0.519714D+01  0.903842D+01 -0.418703D+01 -0.259678D+02
      3   0.850516D+00  0.515779D+01 -0.399044D+00  0.229315D+01  0.376740D+02
      4  -0.101847D+00 -0.438170D+01 -0.518808D+01 -0.861262D+01  0.354301D+01
      5  -0.531512D+01 -0.125059D+02  0.178701D+02  0.265305D+01 -0.696646D+02
      6   0.190905D+00  0.284140D+01  0.467846D+01  0.726068D+01 -0.239634D+02
               226           227           228           229           230 
      1   0.260750D+02  0.201024D+02  0.140384D+01  0.182048D+02  0.103109D+02
      2   0.114890D+00  0.546511D+01  0.364555D+00  0.852939D+01  0.275417D+02
      3  -0.261899D+02 -0.255675D+02 -0.176840D+01 -0.267342D+02 -0.378525D+02
      4   0.404657D+02  0.447162D+02 -0.186178D+01  0.472351D+02  0.686517D+02
      5  -0.438049D+01 -0.572133D+01  0.947955D+01 -0.603090D+01 -0.533703D+01
      6  -0.358084D+01 -0.509157D+01  0.540349D+01 -0.524670D+01 -0.888087D+01
               231           232           233           234           235 
      1  -0.408995D+00  0.658604D+01  0.193980D+01  0.339920D+01 -0.428466D+02
      2   0.872200D+00  0.562429D+00  0.501790D+01 -0.141926D+01  0.286362D+02
      3  -0.463205D+00 -0.714847D+01 -0.695771D+01 -0.197993D+01  0.142104D+02
      4  -0.194740D+01  0.822073D+01  0.136947D+02  0.705812D+01 -0.130599D+02
      5   0.675112D+01  0.741821D+01  0.560234D+01 -0.181507D+01  0.121324D+02
      6   0.634341D+01  0.418030D+01  0.471953D+01  0.173818D+00  0.246513D+00
               236           237           238           239           240 
      1   0.142630D+02  0.135556D+01  0.108226D+02 -0.988102D+01  0.233896D+00
      2  -0.141079D+02 -0.176963D+01 -0.832389D+01  0.121155D+02  0.207546D+00
      3  -0.155097D+00  0.414066D+00 -0.249875D+01 -0.223447D+01 -0.441442D+00
      4  -0.391104D+01  0.338171D+01  0.364390D+01  0.529697D+01  0.310918D+00
      5   0.663337D+00 -0.610680D+01 -0.190049D+01  0.199559D+01 -0.379413D+00
      6   0.350890D+01 -0.480448D+01  0.123933D+01 -0.162842D+01  0.984456D+00
               241           242           243           244           245 
      1   0.586578D+01 -0.277690D+01 -0.555384D+01  0.245685D+01  0.388323D+01
      2  -0.340678D+01  0.382480D+01  0.951701D-01 -0.406224D+01 -0.219338D+01
      3  -0.245899D+01 -0.104790D+01  0.545867D+01  0.160540D+01 -0.168985D+01
      4   0.148681D+01  0.375476D+01 -0.125429D+01  0.623028D+01  0.691055D+01
      5  -0.124424D+01 -0.448160D-01 -0.374529D+01 -0.106847D+02 -0.270835D+01
      6  -0.240287D+01  0.136643D+01 -0.888701D+00 -0.429409D+01 -0.480237D+00
               246           247           248           249           250 
      1  -0.595527D+01  0.443455D+01 -0.291343D+00  0.194342D+01 -0.776637D+01
      2   0.454723D+01 -0.216806D+01  0.131896D+01 -0.161053D+01  0.763353D+01
      3   0.140804D+01 -0.226649D+01 -0.102762D+01 -0.332888D+00  0.132835D+00
      4  -0.358514D+01  0.103344D+02  0.619753D+01 -0.706160D+01 -0.603421D+01
      5   0.122944D+02 -0.371218D+01 -0.719847D+01  0.110480D+02  0.162728D+02
      6   0.255982D+01 -0.210738D+01 -0.603716D+01  0.818990D+01  0.430639D+01
               251           252           253           254           255 
      1   0.207527D+01 -0.448438D+01 -0.880894D+02 -0.523396D+01  0.793320D+01
      2   0.105419D+01 -0.974491D+01  0.449612D+02  0.103257D+02 -0.566854D+01
      3  -0.312946D+01  0.142293D+02  0.431281D+02 -0.509171D+01 -0.226466D+01
      4  -0.105406D+02  0.108133D+02 -0.943080D+01  0.265918D+02  0.115253D+02
      5   0.954709D+01 -0.353880D+02  0.129279D+02  0.871578D+01  0.153640D+02
      6   0.739586D+01 -0.127785D+02  0.961683D+01  0.654584D+01  0.544050D+01
               256           257           258           259           260 
      1   0.190757D+02  0.358704D+02  0.371331D+01  0.320952D+02  0.393101D+01
      2  -0.659514D+01 -0.401768D+02 -0.779466D+01 -0.139423D+02 -0.328460D+01
      3  -0.124805D+02  0.430638D+01  0.408135D+01 -0.181529D+02 -0.646410D+00
      4   0.296606D+02 -0.305756D+02  0.516823D+01  0.236025D+02  0.157350D+02
      5   0.139564D+02  0.782253D+01  0.183338D+02  0.225016D+02  0.198466D+02
      6   0.715223D+01 -0.436379D+01  0.624191D+01  0.955486D+01  0.844852D+01
               261           262           263           264           265 
      1   0.159515D+02  0.746377D+01 -0.931371D+01  0.303688D+01 -0.695279D+01
      2   0.548417D+01  0.201359D+01 -0.885385D+00 -0.247213D+00 -0.101552D+02
      3  -0.214357D+02 -0.947736D+01  0.101991D+02 -0.278967D+01  0.171080D+02
      4   0.231957D+02 -0.157984D+02  0.193973D+02 -0.462903D+01  0.325736D+02
      5  -0.185704D+02  0.588026D+01 -0.484487D+01  0.404960D+01 -0.928398D+01
      6  -0.290689D+01 -0.383866D+01  0.338675D+01 -0.163401D+01  0.716869D+01
               266           267           268           269           270 
      1  -0.567594D+01  0.657034D+00  0.437767D+00  0.108950D+01 -0.791484D+00
      2   0.375429D+02 -0.674236D+01 -0.219141D+01  0.380320D+01  0.161027D+01
      3  -0.318669D+02  0.608533D+01  0.175364D+01 -0.489270D+01 -0.818784D+00
      4  -0.677368D+02  0.149213D+02  0.176499D+01 -0.352805D+01 -0.488995D+01
      5   0.162081D+02 -0.120654D+02  0.364818D+01 -0.500443D+01  0.539831D+01
      6  -0.163207D+02  0.891041D+01 -0.224886D+01  0.540030D+01 -0.367293D+01
               271           272           273           274           275 
      1   0.641142D+01 -0.333363D+00  0.533942D+01 -0.725140D+01 -0.585286D+01
      2  -0.596366D+01 -0.799966D+00 -0.202574D+01  0.384995D+01  0.309961D+01
      3  -0.447756D+00  0.113333D+01 -0.331368D+01  0.340145D+01  0.275325D+01
      4  -0.121093D+01 -0.322441D+01 -0.368286D+00 -0.268983D+01 -0.229944D+01
      5   0.304800D+01 -0.170559D+01 -0.755193D-01 -0.439088D+01  0.366117D+01
      6  -0.462297D+00 -0.149770D+01 -0.117920D+01 -0.631875D+00 -0.160250D+00
               276           277           278           279           280 
      1  -0.398211D+00  0.103353D+02  0.284705D-02 -0.116329D+02  0.135356D+03
      2   0.498192D+01 -0.699832D+01  0.442089D+01 -0.157545D+02 -0.643955D+02
      3  -0.458371D+01 -0.333700D+01 -0.442374D+01  0.273875D+02 -0.709606D+02
      4   0.400086D+01  0.476201D+01  0.876722D+01 -0.357488D+01  0.425623D+02
      5  -0.973065D+01  0.997787D+01 -0.258865D+01  0.433520D+02  0.106374D+02
      6   0.117638D+01  0.147337D+01  0.341792D+01  0.124803D+02 -0.285438D+00
               281           282           283           284           285 
      1   0.995849D+01 -0.116993D+01 -0.807831D+01  0.706910D+01 -0.428856D+00
      2  -0.143450D+01 -0.296674D+00  0.656516D+01 -0.248281D+00  0.710513D+00
      3  -0.852399D+01  0.146660D+01  0.151315D+01 -0.682082D+01 -0.281657D+00
      4   0.176868D+02  0.966660D+00  0.125715D+02  0.594963D+01 -0.102124D+01
      5   0.150321D+01  0.130514D+02 -0.165071D+01 -0.690531D+00 -0.226703D+01
      6   0.179765D+01  0.357167D+01  0.462406D+00  0.521891D+00  0.174779D+00
               286           287           288           289           290 
      1  -0.181799D+02 -0.185528D+01  0.897209D+01  0.235569D+01  0.131154D+02
      2   0.751942D+01 -0.414323D-01 -0.665698D+01  0.157272D+01 -0.131008D+02
      3   0.106605D+02  0.189671D+01 -0.231510D+01 -0.392841D+01 -0.145978D-01
      4  -0.767090D+01 -0.463458D+01  0.127566D+01  0.444357D+01 -0.647240D+01
      5   0.124818D+02 -0.498058D+00 -0.409114D+00 -0.172130D+01 -0.641182D+00
      6   0.316917D+01  0.659418D+00 -0.487405D+00 -0.162316D+00 -0.276721D+01
               291           292           293           294           295 
      1   0.257918D+00  0.107556D+02 -0.313773D+02 -0.289304D+01 -0.408604D+01
      2  -0.356510D+00 -0.295393D+01  0.543394D+02  0.317966D+01  0.742503D+00
      3   0.985919D-01 -0.780172D+01 -0.229622D+02 -0.286616D+00  0.334353D+01
      4  -0.217169D+01  0.124926D+02  0.622123D+02  0.675130D+01 -0.325090D+01
      5  -0.252675D+01  0.305487D+01  0.422484D+01  0.714939D+01  0.306015D+00
      6  -0.218104D+01  0.695984D+00  0.119510D+02  0.760111D+01 -0.302490D-01
               296           297 
      1  -0.983197D+00 -0.537650D+01
      2  -0.159629D+01  0.396446D+01
      3   0.257949D+01  0.141204D+01
      4  -0.475187D+01  0.399202D+01
      5   0.477396D+01  0.228495D+01
      6   0.691903D+01  0.153178D+01
 Leave Link  716 at Wed Sep  8 14:52:53 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.218240D+03 -0.171584D+01 -0.616420D+00
      2  -0.171584D+01  0.140714D+03 -0.701286D+01
      3  -0.616420D+00 -0.701286D+01  0.159128D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.429244D+01 -0.704747D+01  0.217994D+02
      2   0.101914D+02 -0.854943D+01  0.474392D+02
      3  -0.130668D+03 -0.349591D+02  0.125899D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.168672D+03  0.579849D+02 -0.375526D+01
      2  -0.936219D+02 -0.309563D+02  0.163611D+02
      3  -0.750497D+02 -0.270286D+02 -0.126059D+02
      4  -0.234174D+02  0.671809D+02 -0.262700D+02
      5  -0.830457D+01 -0.288123D+02  0.101640D+03
      6  -0.121929D+02  0.120306D+02 -0.272702D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.118886D+02  0.757386D+00  0.130806D+01 -0.236793D+01  0.158476D+01
      2   0.757386D+00  0.216622D+01 -0.898149D+00  0.158476D+01 -0.364210D+01
      3   0.130806D+01 -0.898149D+00  0.326443D+01  0.200926D+01  0.231770D+01
                 6             7             8             9            10 
      1   0.200926D+01  0.152811D+02  0.159503D+01 -0.113863D+01  0.349911D+02
      2   0.231770D+01  0.159503D+01  0.769196D-01  0.148545D+01  0.165823D+01
      3   0.967799D+00 -0.113863D+01  0.148545D+01  0.966482D+00 -0.153202D+01
                11            12            13            14            15 
      1   0.165823D+01 -0.153202D+01 -0.572760D+00  0.450536D+01  0.108699D+01
      2   0.199393D+01 -0.733887D+00  0.450536D+01 -0.130807D+01 -0.114338D+00
      3  -0.733887D+00  0.315474D+01  0.108699D+01 -0.114338D+00 -0.842689D+00
                16            17            18            19            20 
      1  -0.366067D+01  0.789401D+00  0.153889D+01  0.158224D+02 -0.909534D+00
      2   0.789401D+00  0.297895D+00 -0.112310D+01 -0.909534D+00 -0.263495D+01
      3   0.153889D+01 -0.112310D+01 -0.661845D+00 -0.147452D+01  0.160787D+01
                21            22            23            24            25 
      1  -0.147452D+01 -0.463897D+01 -0.173645D+01 -0.270819D+00  0.133212D+02
      2   0.160787D+01 -0.173645D+01 -0.283355D+01  0.253320D+01 -0.219709D+01
      3  -0.205427D+01 -0.270819D+00  0.253320D+01  0.193431D+01  0.270851D+00
                26            27            28            29            30 
      1  -0.219709D+01  0.270851D+00 -0.333367D+02  0.112940D+01  0.101606D+01
      2   0.165644D+01  0.137372D+01  0.112940D+01 -0.206595D+01  0.206156D+00
      3   0.137372D+01  0.165389D+01  0.101606D+01  0.206156D+00 -0.290096D+01
                31            32            33            34            35 
      1   0.320258D+01 -0.512007D+01 -0.162939D+01  0.325358D+01 -0.139785D+01
      2  -0.512007D+01  0.877472D+00  0.407520D+00 -0.139785D+01 -0.211046D+00
      3  -0.162939D+01  0.407520D+00  0.166042D+00 -0.803072D+00 -0.802859D+00
                36            37            38            39            40 
      1  -0.803072D+00  0.115198D+02 -0.987072D+00 -0.880209D+00  0.497607D+01
      2  -0.802859D+00 -0.987072D+00 -0.116633D+01 -0.449984D+00 -0.183719D+01
      3   0.508794D+00 -0.880209D+00 -0.449984D+00 -0.349758D+01 -0.109012D+01
                41            42            43            44            45 
      1  -0.183719D+01 -0.109012D+01 -0.154461D+02  0.418354D+00  0.852534D+00
      2   0.249828D+01 -0.223618D+01  0.418354D+00 -0.108421D+01 -0.102020D+01
      3  -0.223618D+01 -0.125752D+01  0.852534D+00 -0.102020D+01 -0.138201D+01
                46            47            48            49            50 
      1  -0.141536D+02  0.918973D+00  0.843599D+00  0.631694D+01  0.221715D+01
      2   0.918973D+00  0.114150D+01 -0.121996D-02  0.221715D+01  0.184008D+01
      3   0.843599D+00 -0.121996D-02  0.194281D+01 -0.504498D+00 -0.297144D+01
                51            52            53            54            55 
      1  -0.504498D+00 -0.117806D+02  0.538370D+00 -0.530259D+00 -0.176483D+02
      2  -0.297144D+01  0.538370D+00 -0.166365D+01 -0.100151D+01 -0.307821D+01
      3  -0.218221D+01 -0.530259D+00 -0.100151D+01 -0.165964D+01 -0.313381D+00
                56            57            58            59            60 
      1  -0.307821D+01 -0.313381D+00 -0.839307D+01 -0.764717D+01 -0.332447D+00
      2  -0.420294D+01 -0.318353D-01 -0.764717D+01  0.210524D+00 -0.210609D+01
      3  -0.318353D-01 -0.177287D+01 -0.332447D+00 -0.210609D+01  0.197096D+01
                61            62            63            64            65 
      1  -0.177466D+01 -0.595073D+00 -0.346209D+01 -0.421568D+01  0.472732D+01
      2  -0.595073D+00 -0.277866D+01  0.332782D+01  0.472732D+01  0.352981D+01
      3  -0.346209D+01  0.332782D+01  0.485118D+01  0.244752D+01 -0.301554D+00
                66            67            68            69            70 
      1   0.244752D+01  0.151708D+02  0.572067D+01 -0.871653D-01  0.584363D+01
      2  -0.301554D+00  0.572067D+01  0.194865D+01  0.357225D+01  0.746335D+00
      3   0.111186D+01 -0.871653D-01  0.357225D+01 -0.321119D+01  0.229889D+00
                71            72            73            74            75 
      1   0.746335D+00  0.229889D+00  0.285573D+01 -0.357532D+01 -0.252609D+01
      2   0.361980D+01 -0.288986D+01 -0.357532D+01 -0.356184D+01 -0.112055D+00
      3  -0.288986D+01 -0.469568D+01 -0.252609D+01 -0.112055D+00 -0.168004D+01
                76            77            78            79            80 
      1  -0.544241D+01 -0.477661D+01 -0.994905D-01 -0.266739D+01  0.230756D+00
      2  -0.477661D+01 -0.148469D+01 -0.463655D+01  0.230756D+00 -0.317372D+01
      3  -0.994905D-01 -0.463655D+01  0.329235D+01 -0.487356D+00  0.274654D+01
                81            82            83            84            85 
      1  -0.487356D+00  0.321297D+01 -0.404013D+01 -0.136864D+01 -0.565875D+01
      2   0.274654D+01 -0.404013D+01 -0.399742D+01  0.376602D+00 -0.405958D+01
      3   0.252142D+01 -0.136864D+01  0.376602D+00 -0.108916D+01 -0.173598D+00
                86            87            88            89            90 
      1  -0.405958D+01 -0.173598D+00 -0.223106D+01 -0.942550D+00 -0.770455D+00
      2  -0.285139D+01 -0.254903D+01 -0.942550D+00 -0.344444D+01  0.210328D+01
      3  -0.254903D+01  0.343784D+01 -0.770455D+00  0.210328D+01  0.640741D+01
                91            92            93            94            95 
      1   0.836445D+01  0.173304D+01  0.215699D+01 -0.424077D+01  0.679933D+01
      2   0.173304D+01  0.217150D+01  0.431278D+00  0.679933D+01 -0.475188D+01
      3   0.215699D+01  0.431278D+00  0.169460D+01  0.168177D+01  0.726858D+00
                96            97            98            99           100 
      1   0.168177D+01  0.382594D+01  0.233198D+01  0.264692D+01  0.636054D+00
      2   0.726858D+00  0.233198D+01  0.744939D+00  0.276835D+01 -0.129933D+01
      3   0.224903D+01  0.264692D+01  0.276835D+01 -0.320537D+01 -0.160819D+01
               101           102           103           104           105 
      1  -0.129933D+01 -0.160819D+01 -0.504343D+00 -0.106777D+01  0.152786D+01
      2  -0.194181D+00  0.869860D+00 -0.106777D+01  0.408838D+01 -0.195951D+01
      3   0.869860D+00  0.487886D+00  0.152786D+01 -0.195951D+01 -0.297437D+01
               106           107           108           109           110 
      1  -0.515439D+01  0.239001D+01  0.136036D+01 -0.249562D+01  0.189020D+01
      2   0.239001D+01 -0.490697D+01 -0.368816D+01  0.189020D+01 -0.800678D+00
      3   0.136036D+01 -0.368816D+01 -0.208620D+01  0.331052D+01 -0.795685D+00
               111           112           113           114           115 
      1   0.331052D+01  0.383056D+01 -0.313116D+01 -0.196455D+01  0.801248D+01
      2  -0.795685D+00 -0.313116D+01  0.462460D+01  0.400002D+01 -0.366946D+01
      3  -0.133636D+01 -0.196455D+01  0.400002D+01  0.342313D+01 -0.350072D+01
               116           117           118           119           120 
      1  -0.366946D+01 -0.350072D+01 -0.411289D-01 -0.207464D+00 -0.140585D+01
      2   0.539093D+01  0.435694D+01 -0.207464D+00  0.186695D+01 -0.234126D+00
      3   0.435694D+01  0.883023D+01 -0.140585D+01 -0.234126D+00 -0.126842D+00
               121           122           123           124           125 
      1  -0.945747D+00  0.318266D+01 -0.676102D+00 -0.442383D+01  0.903477D+00
      2   0.318266D+01 -0.773368D+01  0.151038D+00  0.903477D+00 -0.886089D+00
      3  -0.676102D+00  0.151038D+00 -0.221376D+00 -0.104154D+01  0.149967D+01
               126           127           128           129           130 
      1  -0.104154D+01  0.338347D+01 -0.104835D+01  0.249826D+01 -0.202818D+01
      2   0.149967D+01 -0.104835D+01  0.858218D+00 -0.105328D+01  0.749950D+00
      3  -0.401843D+01  0.249826D+01 -0.105328D+01  0.217789D+01 -0.135268D+01
               131           132           133           134           135 
      1   0.749950D+00 -0.135268D+01  0.251344D+01 -0.123835D+01  0.293345D+01
      2  -0.864822D+00  0.913901D+00 -0.123835D+01  0.161661D+01 -0.212242D+01
      3   0.913901D+00 -0.204749D+01  0.293345D+01 -0.212242D+01  0.496668D+01
               136           137           138           139           140 
      1  -0.199228D+01 -0.668552D+00  0.206235D+01 -0.355707D+00 -0.181220D+00
      2  -0.668552D+00 -0.300639D+00  0.659190D+00 -0.181220D+00 -0.480663D+00
      3   0.206235D+01  0.659190D+00 -0.222084D+01  0.670843D+00  0.772052D+00
               141           142           143           144           145 
      1   0.670843D+00  0.199467D+01  0.995410D+00 -0.269863D+01 -0.357886D+01
      2   0.772052D+00  0.995410D+00  0.157844D+01 -0.239487D+01  0.929830D+00
      3  -0.220371D+01 -0.269863D+01 -0.239487D+01  0.731909D+01 -0.205200D+01
               146           147           148           149           150 
      1   0.929830D+00 -0.205200D+01  0.153587D+01 -0.609791D+00  0.116097D+01
      2  -0.606164D+00  0.622324D+00 -0.609791D+00  0.599437D+00 -0.597767D+00
      3   0.622324D+00 -0.182612D+01  0.116097D+01 -0.597767D+00  0.180468D+01
               151           152           153           154           155 
      1  -0.244610D+01  0.894824D+00 -0.269778D+01  0.198396D+01  0.622700D+00
      2   0.894824D+00 -0.106446D+01  0.141692D+01  0.622700D+00  0.226326D+00
      3  -0.269778D+01  0.141692D+01 -0.479093D+01 -0.198564D+01 -0.324501D+00
               156           157           158           159           160 
      1  -0.198564D+01  0.722350D-01  0.152021D+00 -0.538456D+00 -0.234994D+01
      2  -0.324501D+00  0.152021D+00  0.255072D+00 -0.497230D+00 -0.853357D+00
      3   0.204779D+01 -0.538456D+00 -0.497230D+00  0.188785D+01  0.285377D+01
               161           162           163           164           165 
      1  -0.853357D+00  0.285377D+01  0.197897D+01 -0.469788D+00 -0.174095D+01
      2  -0.102975D+01  0.144624D+01 -0.469788D+00  0.977771D+00  0.549110D+00
      3   0.144624D+01 -0.722784D+01 -0.174095D+01  0.549110D+00  0.145548D+01
               166           167           168           169           170 
      1   0.130643D+01  0.163536D+01  0.552371D+00 -0.521878D+01  0.870300D+00
      2   0.163536D+01 -0.123559D+01 -0.128558D+01  0.870300D+00 -0.194664D+01
      3   0.552371D+00 -0.128558D+01 -0.138731D+01  0.321636D+01 -0.270850D+01
               171           172           173           174           175 
      1   0.321636D+01  0.372498D+01 -0.190363D+01  0.110839D+01 -0.269630D+01
      2  -0.270850D+01 -0.190363D+01  0.245026D+01 -0.455464D+00  0.338562D+01
      3  -0.662979D+01  0.110839D+01 -0.455464D+00  0.711811D+00 -0.635996D+00
               176           177           178           179           180 
      1   0.338562D+01 -0.635996D+00  0.511510D+01 -0.106951D+01  0.131055D+01
      2  -0.546646D+01  0.151481D+01 -0.106951D+01  0.292228D+01 -0.171370D+01
      3   0.151481D+01 -0.114303D+01  0.131055D+01 -0.171370D+01  0.101847D+01
               181           182           183           184           185 
      1   0.140566D+02 -0.149637D+01 -0.161504D+01 -0.384321D+01  0.112440D+01
      2  -0.149637D+01  0.116881D+01  0.204989D+00  0.112440D+01 -0.103780D+01
      3  -0.161504D+01  0.204989D+00  0.139669D+01  0.158621D+00 -0.662620D+00
               186           187           188           189           190 
      1   0.158621D+00 -0.245744D+01 -0.142639D-01  0.196902D+01 -0.664493D+01
      2  -0.662620D+00 -0.142639D-01 -0.754235D+00  0.148558D+00  0.433957D+00
      3  -0.726616D-01  0.196902D+01  0.148558D+00 -0.243836D+00  0.665601D+00
               191           192           193           194           195 
      1   0.433957D+00  0.665601D+00  0.807083D+00 -0.540693D+00 -0.568235D+00
      2  -0.127258D+01 -0.811311D+00 -0.540693D+00  0.969753D+00  0.866157D+00
      3  -0.811311D+00 -0.193200D+01 -0.568235D+00  0.866157D+00  0.400291D+00
               196           197           198           199           200 
      1   0.953491D+00 -0.292079D+00 -0.735306D+00  0.424621D+01  0.319933D+01
      2  -0.292079D+00  0.630036D+00  0.113821D+00  0.319933D+01  0.302764D+01
      3  -0.735306D+00  0.113821D+00  0.107786D+01  0.224060D+01  0.134553D+01
               201           202           203           204           205 
      1   0.224060D+01  0.398027D+01  0.402026D+01  0.200117D+01  0.113147D+01
      2   0.134553D+01  0.402026D+01  0.534093D+01  0.274885D+01  0.885572D+00
      3   0.186837D+01  0.200117D+01  0.274885D+01  0.210749D+01  0.153640D+01
               206           207           208           209           210 
      1   0.885572D+00  0.153640D+01  0.133553D+01 -0.662160D+00  0.161942D+01
      2   0.132786D+01  0.118611D+01 -0.662160D+00  0.131195D+01 -0.689935D+00
      3   0.118611D+01  0.131141D+01  0.161942D+01 -0.689935D+00  0.163502D+01
               211           212           213           214           215 
      1  -0.143997D+01  0.133410D+01 -0.133856D+01  0.157697D+01 -0.683880D+00
      2   0.133410D+01 -0.327170D+01  0.270330D+01 -0.683880D+00  0.210306D+01
      3  -0.133856D+01  0.270330D+01 -0.378210D+01  0.161473D+01 -0.216148D+01
               216           217           218           219           220 
      1   0.161473D+01  0.401607D+00  0.397486D+00 -0.114466D+01 -0.525290D-01
      2  -0.216148D+01  0.397486D+00  0.596126D+00 -0.845867D-01  0.368978D+00
      3   0.411482D+01 -0.114466D+01 -0.845867D-01  0.115226D+01  0.107931D+00
               221           222           223           224           225 
      1   0.368978D+00  0.107931D+00 -0.150344D+01 -0.306796D+00  0.142525D+01
      2  -0.829270D-01 -0.647877D+00 -0.306796D+00 -0.127109D+01  0.312786D+00
      3  -0.647877D+00 -0.147299D+01  0.142525D+01  0.312786D+00 -0.907944D+01
               226           227           228           229           230 
      1   0.375967D+01  0.378956D+01 -0.111122D+00  0.352485D+01  0.452414D+01
      2   0.378956D+01  0.423864D+01 -0.270033D+00  0.452414D+01  0.762474D+01
      3  -0.111122D+00 -0.270033D+00  0.944096D+00 -0.223295D+00 -0.166672D+00
               231           232           233           234           235 
      1  -0.223295D+00  0.103651D+01  0.793898D+00  0.818629D+00 -0.670888D+01
      2  -0.166672D+00  0.793898D+00  0.162369D+01  0.667873D+00  0.635631D+00
      3   0.689399D+00  0.818629D+00  0.667873D+00 -0.214443D+00  0.646104D+00
               236           237           238           239           240 
      1   0.635631D+00  0.646104D+00  0.102837D+01 -0.102003D+01  0.171933D+00
      2  -0.220230D+01  0.382946D+00 -0.102003D+01  0.153307D+01  0.133886D+00
      3   0.382946D+00 -0.106516D+01  0.171933D+00  0.133886D+00  0.160590D+00
               241           242           243           244           245 
      1   0.893780D+00 -0.553685D-01 -0.452441D+00  0.450969D-01 -0.855780D+00
      2  -0.553685D-01  0.699475D+00  0.131311D+00 -0.855780D+00 -0.651363D+00
      3  -0.452441D+00  0.131311D+00 -0.442023D+00  0.120700D+01  0.237741D+00
               246           247           248           249           250 
      1   0.120700D+01 -0.127838D+01 -0.115635D+01  0.401377D+00  0.263523D+01
      2   0.237741D+00 -0.115635D+01 -0.871489D+00  0.112178D+01  0.417114D+00
      3  -0.115110D+01  0.401377D+00  0.112178D+01 -0.158800D+01 -0.187008D+01
               251           252           253           254           255 
      1   0.417114D+00 -0.187008D+01  0.822814D+01 -0.126630D+01 -0.223689D+01
      2   0.150598D+01 -0.137321D+01 -0.126630D+01 -0.341356D+01 -0.116300D+01
      3  -0.137321D+01  0.528756D+01 -0.223689D+01 -0.116300D+01 -0.173119D+01
               256           257           258           259           260 
      1  -0.505447D+01 -0.289648D+01 -0.149058D+01 -0.773636D+01 -0.179077D+01
      2  -0.289648D+01  0.560878D+01 -0.323209D+00 -0.179077D+01 -0.193286D+01
      3  -0.149058D+01 -0.323209D+00 -0.247127D+01 -0.227391D+01 -0.246651D+01
               261           262           263           264           265 
      1  -0.227391D+01 -0.124347D+01  0.161712D+01 -0.704130D+00  0.274342D+01
      2  -0.246651D+01  0.161712D+01 -0.179406D+01  0.495544D+00 -0.394947D+01
      3   0.273274D+01 -0.704130D+00  0.495544D+00 -0.489587D+00  0.105831D+01
               266           267           268           269           270 
      1  -0.394947D+01  0.105831D+01 -0.917173D-01 -0.231718D+00 -0.396814D+00
      2   0.986706D+01 -0.215474D+01 -0.231718D+00  0.387316D+00  0.726980D+00
      3  -0.215474D+01  0.177589D+01 -0.396814D+00  0.726980D+00 -0.836098D+00
               271           272           273           274           275 
      1  -0.434288D+00  0.417785D+00 -0.439573D+00  0.140993D+01  0.235202D+00
      2   0.417785D+00  0.481927D+00  0.216290D+00  0.235202D+00  0.213330D+00
      3  -0.439573D+00  0.216290D+00  0.406341D+00  0.365933D+00 -0.641166D+00
               276           277           278           279           280 
      1   0.365933D+00 -0.183490D+01 -0.227237D+00 -0.702181D+00 -0.160484D+02
      2  -0.641166D+00 -0.227237D+00 -0.119332D+01  0.340805D+00 -0.164545D+01
      3   0.129217D+01 -0.702181D+00  0.340805D+00 -0.607777D+01 -0.236872D+00
               281           282           283           284           285 
      1  -0.164545D+01 -0.236872D+00  0.125923D+01 -0.115049D+01  0.170322D+00
      2  -0.126084D+01 -0.166593D+00 -0.115049D+01 -0.551973D+00  0.942746D-01
      3  -0.166593D+00 -0.999621D+00  0.170322D+00  0.942746D-01  0.354208D+00
               286           287           288           289           290 
      1   0.240188D+01  0.467831D+00 -0.106889D+01 -0.116043D+00 -0.744512D+00
      2   0.467831D+00  0.540613D+00  0.986244D-01 -0.744512D+00  0.191821D+01
      3  -0.106889D+01  0.986244D-01  0.653268D-01  0.245304D+00  0.371774D+00
               291           292           293           294           295 
      1   0.245304D+00 -0.165119D+01 -0.659450D+00 -0.149662D+00  0.986992D+00
      2   0.371774D+00 -0.659450D+00 -0.963138D+01 -0.102761D+01  0.296692D+00
      3   0.421629D+00 -0.149662D+00 -0.102761D+01 -0.105610D+01  0.525647D-01
               296           297 
      1   0.296692D+00  0.525647D-01
      2   0.618863D+00 -0.785380D+00
      3  -0.785380D+00 -0.382032D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.217005D+01  0.156127D+01  0.394510D+01  0.980205D+01  0.170274D+01
      2  -0.239899D+01 -0.215178D+01  0.381733D+01 -0.414601D+01 -0.179239D+01
      3   0.194124D+02 -0.169174D+01 -0.182009D+01  0.146669D+02  0.183620D+01
                 6             7             8             9            10 
      1  -0.233475D+01  0.232551D+01  0.395030D+01  0.164685D+00 -0.313006D+01
      2   0.634127D+00 -0.293134D+01  0.819482D+00 -0.446128D+00 -0.488717D+00
      3  -0.550351D+01 -0.169073D+02 -0.276962D+01 -0.523166D+00 -0.452987D+02
                11            12            13            14            15 
      1  -0.807911D+00  0.170883D+01  0.235413D+01  0.434249D+01 -0.944757D+01
      2   0.894851D+00 -0.257860D+01  0.563487D+01  0.163787D+00 -0.166159D+00
      3  -0.164069D+01  0.157335D+01  0.115569D+02 -0.252818D+01 -0.541703D+00
                16            17            18            19            20 
      1  -0.380138D+01 -0.287243D+01 -0.416538D+01 -0.270782D+01 -0.877313D+00
      2  -0.263163D+02 -0.180773D+01 -0.375691D+01  0.796236D+00 -0.281005D+01
      3  -0.182186D+00 -0.315276D+00 -0.184923D+01 -0.204800D+02  0.135995D+00
                21            22            23            24            25 
      1  -0.215926D+01 -0.499619D+01  0.169790D+01  0.808409D+00 -0.979931D+00
      2   0.782790D+01 -0.347106D+01  0.183464D+01 -0.170697D+01 -0.644331D+01
      3   0.316735D+01  0.162652D+02 -0.830833D+00  0.289291D+01 -0.151017D+02
                26            27            28            29            30 
      1   0.357488D+01  0.227635D+01  0.255338D+00  0.191705D+01 -0.288255D+01
      2  -0.110305D+01  0.120926D+01  0.473616D+01  0.983239D+00 -0.381343D+01
      3   0.507998D+01  0.177719D+01  0.423272D+02 -0.219461D+01 -0.278396D+01
                31            32            33            34            35 
      1  -0.495084D+00  0.420291D+01 -0.966105D+01 -0.612630D+01 -0.156132D+01
      2   0.494065D+01 -0.383970D+00  0.215661D+01 -0.297541D+02  0.535546D+01
      3   0.847202D+01  0.572710D+01  0.815687D+00 -0.853595D+01 -0.135255D+01
                36            37            38            39            40 
      1  -0.279693D+01 -0.462864D-01  0.154250D+01 -0.199566D+01  0.559448D+01
      2   0.182333D+01 -0.765393D+01 -0.113156D+01  0.420231D+01 -0.424742D+01
      3   0.274785D+01 -0.178830D+02 -0.232568D+00  0.324377D+01  0.574071D+01
                41            42            43            44            45 
      1  -0.242571D+01 -0.324510D+01  0.474315D+01  0.178206D+01 -0.175745D+01
      2  -0.237054D+01  0.126625D+01  0.998981D+00 -0.241515D+00 -0.234178D+01
      3   0.179014D+01 -0.234443D+01  0.243173D+02 -0.258799D+01 -0.506414D+01
                46            47            48            49            50 
      1   0.182840D+01 -0.237290D+01  0.135515D+01 -0.807951D+01 -0.243114D+01
      2   0.644450D+01 -0.262625D+01  0.939807D+01 -0.351114D+01  0.239471D+01
      3   0.251917D+02 -0.292967D+01  0.296674D+01  0.629450D+01 -0.161288D+01
                51            52            53            54            55 
      1  -0.231048D+01 -0.121824D+01  0.263077D+01 -0.990774D-01  0.181168D+01
      2  -0.354267D+01 -0.362008D+01 -0.127994D+01  0.257200D+01 -0.724673D+01
      3   0.268618D+01  0.183528D+02  0.475775D+00  0.280169D+01  0.305355D+02
                56            57            58            59            60 
      1   0.164244D+01 -0.161446D+00  0.400633D+01 -0.324910D+01  0.307321D+01
      2  -0.773526D+00 -0.395707D+01 -0.407030D+01 -0.126210D+02  0.919544D+01
      3   0.148697D+02 -0.107196D+00  0.451802D+02  0.109179D+02  0.869359D+01
                61            62            63            64            65 
      1  -0.363275D+00  0.841939D+01  0.430633D+01 -0.186649D+01  0.519569D-01
      2  -0.216538D+02  0.112625D+02  0.164890D+02  0.122811D+02 -0.396987D+00
      3   0.390445D+01  0.114037D+02 -0.645336D+01 -0.317831D+02 -0.180419D+02
                66            67            68            69            70 
      1  -0.102478D+01 -0.322748D+01 -0.249494D+01 -0.210463D+01  0.281841D+01
      2   0.776086D+01  0.487793D+01  0.169449D+02 -0.147782D+02 -0.872979D+00
      3   0.193420D+01 -0.328594D+02 -0.997459D+01 -0.147064D+02 -0.670803D+01
                71            72            73            74            75 
      1   0.560103D+01  0.228219D+01 -0.193211D+01 -0.665932D+01  0.105523D+01
      2  -0.123396D+02 -0.193650D+02 -0.190590D+02  0.541270D+01  0.202754D+01
      3  -0.157112D+02  0.992198D+01  0.191946D+02  0.100657D+02 -0.264110D+01
                76            77            78            79            80 
      1  -0.977104D+01  0.124955D+01 -0.152061D+02  0.896828D+00 -0.761602D+01
      2   0.687455D+01 -0.113067D+02  0.139302D+02  0.272033D+01  0.114047D+02
      3   0.188461D+02  0.286616D+01  0.177995D+02 -0.311002D+01  0.124620D+02
                81            82            83            84            85 
      1   0.358080D+01  0.602201D+01  0.425110D+01  0.190026D+01  0.614803D+01
      2   0.126008D+02  0.974836D+00 -0.370172D+01 -0.330642D+01 -0.710538D+01
      3  -0.112401D+02  0.266227D+02  0.509716D+01 -0.240976D+01  0.882047D+01
                86            87            88            89            90 
      1   0.973359D+01 -0.568998D+01  0.360094D+01  0.254434D+01 -0.169719D+02
      2  -0.146151D+02  0.134274D+02 -0.616733D+01  0.808476D+01  0.217513D+02
      3   0.239820D+01  0.105391D+02  0.122161D+01  0.124883D+02 -0.847661D+01
                91            92            93            94            95 
      1   0.141572D+01 -0.115255D+01  0.165803D+01  0.111773D+01 -0.229037D+01
      2  -0.133247D+02  0.494943D+00 -0.211732D+01 -0.291249D+00 -0.539943D+01
      3  -0.864891D+01  0.171306D+01 -0.857855D+00  0.392967D+02 -0.216594D+02
                96            97            98            99           100 
      1  -0.192905D+01  0.991378D+00  0.575418D+01  0.798894D-01  0.179356D+01
      2  -0.101686D+02 -0.181141D+02 -0.970261D+01  0.112902D+02  0.541630D+01
      3  -0.110703D+01  0.213137D+01 -0.917756D+00  0.664734D+01  0.168053D+02
               101           102           103           104           105 
      1   0.146363D+01 -0.386837D+01  0.403452D+00 -0.116477D+01  0.260621D+01
      2  -0.408180D+01  0.808115D+01 -0.207869D+01  0.613769D+01  0.179338D+02
      3  -0.175529D+02  0.200581D+01 -0.750014D+01  0.479003D+01 -0.465399D+01
               106           107           108           109           110 
      1  -0.324144D+01 -0.252688D+01  0.463716D+01 -0.383470D+01 -0.206719D+01
      2  -0.195577D+01  0.140685D+02  0.857907D+01 -0.804074D+01  0.207878D+01
      3   0.144207D+02 -0.165018D+02 -0.109745D+02 -0.111928D+01  0.183396D+00
               111           112           113           114           115 
      1   0.215477D+01 -0.213833D+01  0.439561D+01 -0.714657D+01  0.490217D+00
      2   0.404649D+01 -0.188835D+01 -0.106432D+02 -0.141917D+02  0.210969D+01
      3  -0.105952D+00 -0.637258D+01  0.192212D+02  0.127114D+02 -0.160295D+02
               116           117           118           119           120 
      1   0.725743D+01 -0.103029D+02  0.305083D+01  0.132595D+00  0.368377D+00
      2  -0.127775D+02 -0.302892D+02  0.401497D+01  0.698179D+00  0.194672D+01
      3   0.198136D+02  0.132613D+02 -0.419008D+01  0.510143D+01 -0.289774D+01
               121           122           123           124           125 
      1   0.312872D+00  0.327188D+01 -0.105534D+01 -0.127605D+01  0.679396D+01
      2   0.296037D+01  0.114033D+01 -0.642782D+00 -0.750189D+00 -0.437946D+01
      3   0.898608D+01 -0.222247D+02 -0.449478D+00  0.305789D+01 -0.411597D+01
               126           127           128           129           130 
      1   0.752410D+01  0.312653D+01  0.113974D+01  0.280898D+01 -0.202718D+01
      2   0.148332D+02 -0.471933D+01  0.167258D-01 -0.225891D+00  0.155347D+01
      3   0.548907D+01 -0.538002D+01 -0.999879D+00 -0.264083D+01  0.430283D+01
               131           132           133           134           135 
      1   0.254054D+00 -0.372456D+01  0.314737D+01  0.110633D+01  0.515262D+01
      2   0.187183D+00 -0.114914D+01 -0.256265D+01 -0.461993D+00  0.208714D+01
      3   0.510082D+00  0.776534D+00 -0.324374D+01 -0.142480D+01 -0.198825D+01
               136           137           138           139           140 
      1   0.213133D+01 -0.817884D+00 -0.252008D+01  0.994954D+00  0.232818D+00
      2   0.436799D+01  0.462546D+00 -0.105883D+01  0.473706D+00 -0.379940D-01
      3   0.285786D+01  0.769748D-01 -0.220096D+01  0.156744D+01 -0.157603D+00
               141           142           143           144           145 
      1  -0.366039D+01 -0.207972D+01  0.204914D+01  0.636849D+01 -0.236541D+01
      2   0.639759D+00 -0.450334D+01 -0.499536D+00 -0.571048D+00 -0.823048D+01
      3  -0.719875D+00 -0.263652D+01  0.862725D+00  0.233458D+01  0.339786D+00
               146           147           148           149           150 
      1   0.294498D+01 -0.986962D+00  0.133588D+01 -0.145821D+01 -0.538401D+00
      2   0.146696D+01 -0.158430D+01  0.209065D+01 -0.611949D+00  0.321124D+00
      3  -0.137898D+01  0.785035D+00  0.590375D+00  0.131456D+01 -0.234875D+00
               151           152           153           154           155 
      1  -0.214158D+01  0.416336D+01 -0.317050D+01 -0.253668D+01 -0.209573D+01
      2  -0.486595D+01  0.610607D+00  0.228977D+00  0.482500D+01  0.120725D+01
      3   0.646053D+00 -0.235562D+01  0.166535D+01 -0.620332D+00 -0.106611D+01
               156           157           158           159           160 
      1   0.135437D+01 -0.460270D+00 -0.118004D+01 -0.154272D+00  0.356752D+01
      2  -0.117515D+01  0.237279D+00  0.526574D-01  0.331271D+00 -0.514381D+01
      3   0.103511D+01  0.112858D+01 -0.420753D+00  0.326213D+00  0.148734D+01
               161           162           163           164           165 
      1   0.538590D+01 -0.577306D+01 -0.122719D+01 -0.514336D+00  0.143299D+01
      2  -0.569859D+00 -0.204934D+01 -0.615805D+01  0.104073D+01  0.592439D+01
      3   0.226262D+01 -0.198479D+01 -0.143670D+01 -0.428027D+01  0.552263D+00
               166           167           168           169           170 
      1  -0.154833D+00 -0.118996D+00 -0.229107D+01  0.270728D+01  0.887974D+00
      2   0.208363D+01 -0.331120D+01 -0.493522D+01  0.597482D+01 -0.954131D+01
      3  -0.571219D+01  0.222656D+01  0.300025D+01  0.383219D+01  0.588086D+01
               171           172           173           174           175 
      1  -0.712914D+01  0.163822D+01 -0.136276D+01  0.183357D+01 -0.245250D+01
      2  -0.224418D+02  0.690001D+01 -0.270687D+01  0.503738D+01 -0.331218D+01
      3   0.446096D+01  0.221861D+01 -0.758518D+01  0.334118D+00 -0.603038D+01
               176           177           178           179           180 
      1   0.390038D+01 -0.479319D+01  0.179434D+01 -0.219684D+01  0.305712D+01
      2   0.774227D+01 -0.564654D+01  0.465839D+01 -0.709212D+01  0.443750D+01
      3   0.148715D+02 -0.410861D+01 -0.327965D+01 -0.940987D+01  0.403028D+01
               181           182           183           184           185 
      1   0.265147D+00 -0.568242D+00 -0.233940D+00  0.166832D+00  0.473233D+00
      2  -0.350623D+01  0.597401D+00  0.936711D+01 -0.444001D+00 -0.312019D+01
      3   0.531742D+01 -0.895482D+01 -0.852186D+00 -0.106724D+01  0.475179D+01
               186           187           188           189           190 
      1  -0.109882D+01 -0.492806D+00  0.100288D+01 -0.194215D+00 -0.183278D+01
      2   0.198590D+00  0.599528D+01  0.781049D+00 -0.366318D+00  0.206265D+02
      3   0.327398D+01  0.838631D+00  0.408121D+01 -0.109702D+01 -0.104775D+02
               191           192           193           194           195 
      1  -0.263303D+01  0.129882D+01 -0.122522D+01  0.351090D+00  0.389819D-01
      2  -0.347401D+01 -0.763789D+01 -0.288383D+01  0.502153D+01  0.193955D+01
      3   0.331884D+01  0.403022D+01  0.407979D+01 -0.325213D+01 -0.352467D+01
               196           197           198           199           200 
      1   0.113537D+01  0.210581D+01 -0.371515D+00  0.354580D+01  0.529018D+01
      2  -0.809602D+01  0.841975D+00  0.497367D+01  0.244740D+01  0.419679D+00
      3   0.216514D+01 -0.200375D+01 -0.138025D+01 -0.942421D+01 -0.118263D+02
               201           202           203           204           205 
      1  -0.523927D+00  0.598899D+01  0.783884D+01  0.284836D+00  0.104058D+01
      2   0.616892D+01  0.879511D-02  0.511547D+01  0.704822D+01  0.240708D+01
      3  -0.383744D+01 -0.107973D+02 -0.200168D+02 -0.977898D+01 -0.155027D+01
               206           207           208           209           210 
      1   0.295125D+01  0.608074D+00 -0.256940D+01  0.335738D+01 -0.210843D+01
      2   0.281197D+01  0.333364D+01  0.561230D+01 -0.149181D+01  0.507897D+01
      3  -0.517313D+01 -0.375346D+01  0.241304D+01 -0.606458D+01  0.334573D+01
               211           212           213           214           215 
      1   0.297338D+01 -0.997546D+01  0.579550D+01 -0.239433D+01  0.824595D+01
      2  -0.143109D+01  0.927011D+01 -0.143414D+02  0.132963D+01 -0.795744D+01
      3  -0.339365D+01  0.142593D+02 -0.105547D+02  0.260345D+01 -0.884557D+01
               216           217           218           219           220 
      1  -0.627276D+01  0.159097D+01 -0.642996D+00 -0.173953D+01 -0.288896D+00
      2   0.142535D+02 -0.477870D+01 -0.288298D+00  0.355094D+01 -0.487928D+00
      3   0.881539D+01 -0.244480D+01 -0.249597D+01 -0.988575D+00 -0.340903D+00
               221           222           223           224           225 
      1   0.190798D+01  0.246446D+01 -0.173633D+01  0.509608D+01  0.165716D+02
      2  -0.197759D+01 -0.575785D+01 -0.370596D+00  0.422873D+00 -0.319830D+02
      3   0.133885D+01  0.191941D+01 -0.117314D+01  0.459928D+01 -0.113611D+01
               226           227           228           229           230 
      1  -0.432161D+01 -0.473078D+01 -0.315214D+01 -0.582772D+01 -0.889068D+01
      2   0.346581D+01  0.260556D+01  0.535062D+01  0.358443D+01  0.390312D+01
      3  -0.777836D+01 -0.117778D+02  0.131727D+01 -0.695682D+01 -0.226180D+02
               231           232           233           234           235 
      1  -0.394571D+01 -0.236371D+01 -0.177234D+01 -0.766059D+00 -0.685262D+00
      2   0.362020D+01  0.348290D+01  0.284596D+01  0.578504D-01 -0.839609D+01
      3   0.480407D+00 -0.105350D+01 -0.554110D+01 -0.130479D+01 -0.219143D+02
               236           237           238           239           240 
      1   0.197925D+01  0.257723D+01  0.102050D+01 -0.155443D+01 -0.100467D+01
      2   0.214558D+01 -0.109494D+01  0.202210D+01 -0.103680D+01 -0.389947D+00
      3   0.702651D+01 -0.156429D+00  0.697288D+01 -0.656366D+01 -0.544440D+00
               241           242           243           244           245 
      1   0.171177D+01  0.591667D+00  0.244112D+00 -0.425369D-01 -0.445206D+00
      2  -0.300253D+01 -0.190956D+00 -0.210598D+01 -0.499874D+01 -0.493705D+00
      3   0.133207D+01 -0.263921D+01 -0.151351D+01 -0.314253D+01 -0.218501D+01
               246           247           248           249           250 
      1  -0.628812D+00 -0.147599D+00  0.304648D+00 -0.172599D+01 -0.517405D+00
      2   0.395967D+01 -0.716461D-01 -0.276515D+01  0.538397D+01  0.108044D+01
      3   0.139072D+00 -0.823277D+00 -0.191517D+01  0.288054D+01 -0.834384D+00
               251           252           253           254           255 
      1   0.230576D+01  0.246404D+01 -0.179686D+01  0.671692D+00 -0.239258D+01
      2   0.433826D+01 -0.165119D+02  0.202532D+02  0.489684D+01  0.876302D+01
      3   0.437853D+01 -0.315121D+01 -0.175619D+02 -0.124852D+02 -0.719551D+00
               256           257           258           259           260 
      1  -0.156992D+01 -0.624044D+01 -0.583175D+01 -0.115342D+01 -0.106667D+01
      2   0.452257D+01 -0.321298D+00  0.853828D+01  0.629583D+01  0.949349D+01
      3  -0.283160D+01  0.258242D+02  0.147924D+01  0.195589D+01 -0.232520D+01
               261           262           263           264           265 
      1   0.796907D+01  0.153866D+00  0.374211D+00  0.995740D+00  0.396439D+00
      2  -0.156350D+02  0.153603D+01 -0.101134D+01  0.162281D+01 -0.225088D+01
      3  -0.656885D+01  0.322765D+01 -0.394721D+01  0.146581D+01 -0.828806D+01
               266           267           268           269           270 
      1  -0.315444D+01 -0.398763D+01 -0.454714D+00  0.646210D+00 -0.411563D+00
      2   0.600370D+01 -0.625163D+01  0.579541D+00 -0.179752D+01  0.222355D+01
      3   0.311627D+02 -0.673344D+01 -0.576879D+00  0.149327D+01  0.220282D+01
               271           272           273           274           275 
      1  -0.177074D+01 -0.735878D+00  0.422499D+00 -0.659277D-01 -0.243857D+01
      2   0.449690D+01  0.198679D+00 -0.229695D+01  0.129184D+01  0.323724D+01
      3   0.225430D+01  0.908194D+00  0.934831D+00  0.478286D+00  0.769684D+00
               276           277           278           279           280 
      1   0.201227D+01 -0.190696D+00  0.466384D+01 -0.103616D+02  0.824675D+00
      2  -0.552911D+01 -0.246240D+01 -0.242748D+01  0.243840D+02 -0.950691D+01
      3  -0.272242D+01  0.118215D+01 -0.428271D+01  0.287906D+01  0.160611D+02
               281           282           283           284           285 
      1   0.718547D+00 -0.184435D+01  0.907956D+00  0.510207D+00  0.681737D-01
      2  -0.144596D+00  0.792163D+01 -0.670376D+00 -0.104730D+01 -0.124111D+01
      3  -0.637984D+01 -0.748179D+00 -0.492309D+01 -0.549646D+00  0.325462D+00
               286           287           288           289           290 
      1  -0.187545D+01  0.862859D+00 -0.124587D+00  0.104183D+01 -0.554510D+00
      2   0.434563D+01 -0.686268D+00 -0.414902D+00 -0.999829D+00 -0.184783D+01
      3  -0.164279D+01  0.163128D+01  0.203977D+01 -0.433675D+01  0.686014D+01
               291           292           293           294           295 
      1   0.135288D+01 -0.284441D+00  0.620885D+01 -0.382688D+01  0.577392D+00
      2  -0.144513D+01 -0.795295D+00  0.421242D+01  0.387409D+01 -0.151056D+01
      3   0.444892D+00  0.376930D+01 -0.331157D+02 -0.267889D+01 -0.883487D+00
               296           297 
      1  -0.406839D+00 -0.125712D+00
      2   0.257814D+01  0.145736D+01
      3   0.135991D+01 -0.261535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.776331D+01  0.108230D+02 -0.223639D+02 -0.216420D+01 -0.148205D+02
      2   0.340003D+01 -0.100027D+02  0.756334D+01 -0.627883D+01  0.236815D+02
      3   0.436328D+01 -0.820276D+00  0.148006D+02  0.844303D+01 -0.886103D+01
      4   0.107963D+02 -0.413181D+00  0.706457D+01  0.877779D+01 -0.630814D+01
      5  -0.103772D+02  0.622734D+01 -0.138022D+01  0.110595D+02  0.282263D+01
      6   0.522853D+01  0.549407D+01 -0.502032D+01 -0.133150D+01 -0.700122D+01
                 6             7             8             9            10 
      1   0.727411D+01  0.402956D+02 -0.133958D+01  0.915275D+01  0.605381D+02
      2  -0.129937D+02 -0.124795D+02 -0.245573D+01 -0.505828D+01 -0.296843D+02
      3   0.571957D+01 -0.278161D+02  0.379530D+01 -0.409447D+01 -0.308538D+02
      4   0.175725D+01 -0.350558D+01  0.182804D+01  0.662964D+01 -0.106291D+02
      5   0.671380D+01  0.414284D+01  0.692573D+01 -0.519184D+01 -0.952349D+01
      6   0.431590D+01  0.113745D+02 -0.262150D+01  0.677023D+01  0.177722D+01
                11            12            13            14            15 
      1   0.927611D+01 -0.191508D+01  0.152442D+02 -0.206752D+01  0.393452D+01
      2  -0.859485D+01  0.421349D+01 -0.154165D+02  0.729134D+01 -0.707901D+00
      3  -0.681262D+00 -0.229841D+01  0.172374D+00 -0.522382D+01 -0.322662D+01
      4   0.119016D+01 -0.395928D+01  0.165908D+02 -0.766343D+01 -0.120446D+01
      5  -0.479967D+01  0.105302D+02  0.111678D+02 -0.644344D-02 -0.388971D+01
      6   0.743646D+00 -0.776578D+01 -0.425963D+01  0.374582D+01  0.905686D+01
                16            17            18            19            20 
      1  -0.972855D+01  0.424599D+01 -0.173359D+02  0.671337D+01 -0.124794D+02
      2  -0.252633D-01  0.532122D+01  0.115263D+01  0.154462D+00  0.131574D+02
      3   0.975381D+01 -0.956721D+01  0.161833D+02 -0.686783D+01 -0.678046D+00
      4   0.133021D+02 -0.102097D+01 -0.265934D+01 -0.846271D+01 -0.785121D+00
      5  -0.135787D+02 -0.384708D+01 -0.393146D+01  0.109474D+02  0.148403D+01
      6  -0.648635D+01  0.109943D+01 -0.347758D+01 -0.267739D+01 -0.632504D+01
                21            22            23            24            25 
      1   0.199814D+02  0.539955D+01 -0.117433D+02 -0.422956D+01 -0.208902D+02
      2  -0.123902D+02  0.354673D+01  0.182976D+02 -0.112322D+02  0.115034D+01
      3  -0.759121D+01 -0.894628D+01 -0.655432D+01  0.154618D+02  0.197399D+02
      4   0.235300D+01  0.161013D+02  0.668801D+01 -0.204145D+01 -0.204752D+01
      5  -0.115621D+02  0.504852D+00 -0.120607D+01 -0.131885D+01  0.821055D+01
      6   0.635751D+01  0.123621D+00 -0.786499D+01  0.580785D+01 -0.116604D+02
                26            27            28            29            30 
      1  -0.260373D+01  0.730700D+01  0.244661D+02 -0.556730D+01  0.354221D+01
      2  -0.444072D+01 -0.575527D+00 -0.572670D+01  0.829571D+01  0.378901D+00
      3   0.704444D+01 -0.673147D+01 -0.187394D+02 -0.272841D+01 -0.392111D+01
      4  -0.350293D+01 -0.646340D+01  0.186924D+02  0.333221D+01 -0.182501D+01
      5  -0.648450D+01  0.777439D+01  0.526307D+01 -0.145077D+01  0.807916D+01
      6   0.186961D+01  0.855838D+01  0.500943D+01 -0.117250D+01  0.609840D+01
                31            32            33            34            35 
      1  -0.363475D+01 -0.138385D+01  0.669314D+01 -0.605796D+01  0.809886D+01
      2   0.820751D+01  0.527363D+01 -0.221478D+01  0.117195D+01  0.325446D+01
      3  -0.457276D+01 -0.388978D+01 -0.447836D+01  0.488601D+01 -0.113533D+02
      4   0.145211D+02  0.510424D+00  0.163287D+01  0.983829D+01  0.561329D+01
      5   0.119084D+02  0.255048D+00  0.148008D+01 -0.158993D+02  0.357649D+01
      6  -0.180607D+01  0.333024D+01  0.636577D+01 -0.440026D+00  0.558004D-01
                36            37            38            39            40 
      1  -0.148653D+02 -0.281625D+01  0.347582D+01 -0.238653D+02 -0.111614D+02
      2   0.229204D+01 -0.178807D+01 -0.154247D+01  0.615199D+01 -0.165178D+01
      3   0.125733D+02  0.460432D+01 -0.193335D+01  0.177133D+02  0.128131D+02
      4   0.204758D+01  0.328466D+01 -0.143996D+01  0.355711D+01  0.406416D+01
      5   0.668566D+00 -0.158391D+02  0.303414D+01 -0.281283D+01  0.947422D+00
      6  -0.713687D+01  0.257611D+01  0.589399D+01  0.764232D+01  0.196777D+01
                41            42            43            44            45 
      1  -0.506206D+01 -0.567487D+01  0.238723D+02 -0.848251D+01  0.564682D+01
      2   0.547844D+01  0.377088D+00 -0.164618D+00  0.134224D+01 -0.718384D+00
      3  -0.416380D+00  0.529779D+01 -0.237077D+02  0.714028D+01 -0.492843D+01
      4  -0.137723D+01  0.315063D+01  0.388465D+01  0.476762D+01  0.623748D+01
      5   0.125544D+01  0.744770D+01  0.107892D+02  0.550718D+01 -0.555005D+01
      6   0.301355D+01  0.826500D+01  0.112120D+02  0.292443D+01  0.106619D+02
                46            47            48            49            50 
      1  -0.973047D+00 -0.713781D+01  0.193004D+02  0.151651D+02 -0.176453D+01
      2   0.819421D+01  0.290456D+01 -0.711614D+01 -0.450503D+01  0.245832D+01
      3  -0.722116D+01  0.423326D+01 -0.121842D+02 -0.106601D+02 -0.693793D+00
      4  -0.146351D+01  0.447495D+01 -0.202042D+01  0.101642D+02  0.537155D+01
      5   0.184483D+02 -0.462363D-01 -0.828438D+01 -0.964489D+01 -0.397388D+01
      6   0.930932D+00 -0.412673D+01 -0.874544D+00 -0.182290D+01  0.451475D+01
                51            52            53            54            55 
      1  -0.180688D+02 -0.258187D+02 -0.987754D+01  0.369381D+01 -0.363427D+02
      2   0.320593D+01  0.456153D+01  0.241979D+01  0.530775D+01  0.164660D+02
      3   0.148629D+02  0.212572D+02  0.745775D+01 -0.900156D+01  0.198767D+02
      4  -0.434233D+01  0.405625D+01 -0.261520D+01 -0.462316D+01 -0.625392D+01
      5  -0.239180D+01  0.906439D+01 -0.361277D+01  0.639745D+01 -0.416835D+01
      6   0.134424D+02 -0.517115D+01  0.701349D+01  0.136746D+02  0.577233D+00
                56            57            58            59            60 
      1  -0.933518D+01 -0.478871D+01 -0.404044D+02 -0.264924D+02  0.195753D+01
      2   0.611536D+01 -0.688259D-02  0.275897D+02  0.687154D+01  0.616216D+01
      3   0.321982D+01  0.479560D+01  0.128148D+02  0.196209D+02 -0.811969D+01
      4  -0.317801D+02  0.456233D+00 -0.511274D+02  0.125580D+02 -0.164809D+02
      5   0.119723D+00 -0.156422D+02 -0.509191D+00 -0.162337D+02  0.161893D+02
      6   0.135912D+00  0.132730D+01 -0.100416D+01  0.415518D+01 -0.623340D+01
                61            62            63            64            65 
      1  -0.159878D+02  0.118504D+01 -0.372692D+01 -0.964346D+02  0.310810D+02
      2  -0.279926D+01  0.711104D+01  0.725232D+01  0.525472D+02 -0.137223D+02
      3   0.187870D+02 -0.829608D+01 -0.352541D+01  0.438874D+02 -0.173587D+02
      4  -0.626114D+00 -0.214522D+02  0.303621D+02  0.308422D+02  0.288414D+02
      5  -0.268028D+02  0.269039D+02  0.381778D+02  0.251119D+02 -0.257512D+01
      6   0.135357D+02 -0.573625D+01 -0.112118D+02  0.128446D+01 -0.320042D+01
                66            67            68            69            70 
      1   0.248049D+02  0.693132D+02  0.264852D+02 -0.856320D+01  0.364312D+02
      2  -0.142294D+02 -0.315617D+02 -0.122757D+02  0.925700D+01 -0.142627D+02
      3  -0.105754D+02 -0.377515D+02 -0.142095D+02 -0.693802D+00 -0.221685D+02
      4  -0.144596D+01  0.342558D+02  0.110567D+02  0.261019D+02  0.276602D+01
      5   0.108027D+02 -0.193992D+01  0.276572D+02 -0.264274D+02 -0.241856D-01
      6   0.237759D+01  0.255415D+01  0.759702D+01 -0.547294D+01 -0.367032D+01
                71            72            73            74            75 
      1  -0.449712D+01  0.429810D+01  0.378863D+02 -0.242885D+02 -0.200337D+02
      2   0.932603D+01 -0.209418D+01 -0.203434D+02  0.521375D+01  0.113472D+02
      3  -0.482891D+01 -0.220392D+01 -0.175429D+02  0.190747D+02  0.868650D+01
      4   0.240048D+02 -0.207279D+02 -0.229821D+02 -0.341148D+02 -0.618393D+01
      5  -0.214254D+02 -0.363502D+02 -0.116240D+02 -0.839877D+01 -0.202909D+02
      6  -0.662471D+01 -0.605811D+01 -0.157204D+02 -0.934821D+01 -0.103660D+01
                76            77            78            79            80 
      1  -0.315349D+02 -0.287726D+02 -0.122254D+01 -0.202907D+02  0.134422D+01
      2   0.642128D+01  0.185225D+02 -0.135710D+02  0.104056D+02 -0.131075D+02
      3   0.251136D+02  0.102502D+02  0.147936D+02  0.988510D+01  0.117633D+02
      4  -0.439731D+02 -0.154129D+02 -0.398103D+02 -0.167497D+01 -0.266098D+02
      5  -0.923592D+01 -0.469503D+02  0.263511D+02 -0.115547D+02  0.224089D+02
      6  -0.160036D+02 -0.742390D+01 -0.973689D+01  0.187991D+01 -0.842924D+01
                81            82            83            84            85 
      1  -0.118617D+02  0.378818D+02 -0.225042D+02 -0.120252D+02 -0.289911D+02
      2   0.147579D+01 -0.370843D+02 -0.203135D+00  0.598126D+01 -0.625500D+00
      3   0.103859D+02 -0.797520D+00  0.227074D+02  0.604392D+01  0.296166D+02
      4   0.196195D+02 -0.188963D+02 -0.414832D+02  0.450681D-01 -0.415334D+02
      5   0.129784D+02 -0.150475D+02  0.645370D+01 -0.658339D+01  0.364635D+01
      6   0.144342D+02  0.141441D+01  0.477597D+01 -0.336878D+01  0.315263D+01
                86            87            88            89            90 
      1  -0.276003D+02  0.909464D+01 -0.145835D+02  0.309778D+01 -0.978144D-01
      2  -0.535493D+00 -0.634880D+01  0.936527D+00 -0.726605D+01  0.247405D+02
      3   0.281358D+02 -0.274584D+01  0.136470D+02  0.416827D+01 -0.246427D+02
      4  -0.341287D+02 -0.158308D+02 -0.107084D+02 -0.241916D+02  0.118288D+02
      5  -0.136195D+02  0.257430D+02 -0.414766D+01  0.153488D+02  0.519721D+02
      6  -0.653061D+01  0.120526D+02 -0.138260D+01  0.110420D+02  0.107137D+02
                91            92            93            94            95 
      1  -0.291440D+00 -0.227622D+01 -0.729271D+01 -0.821652D+01 -0.183473D+02
      2  -0.437788D+01 -0.142860D+01  0.123305D+01  0.108450D+02  0.713874D+01
      3   0.466932D+01  0.370482D+01  0.605966D+01 -0.262848D+01  0.112086D+02
      4  -0.170226D+02 -0.190738D+02 -0.521837D+01 -0.436026D+02  0.234308D+02
      5  -0.209791D+02 -0.329987D+01 -0.125354D+02 -0.125574D+02 -0.812411D+01
      6  -0.190867D+01 -0.720269D+01 -0.729831D+01 -0.262835D+01  0.329538D+01
                96            97            98            99           100 
      1  -0.832790D+01 -0.219283D+02 -0.867856D+01 -0.554864D+01  0.914011D+01
      2   0.477458D+01  0.475345D+01 -0.132341D+01  0.703749D+01 -0.308622D+01
      3   0.355332D+01  0.171749D+02  0.100020D+02 -0.148885D+01 -0.605389D+01
      4  -0.782212D+01 -0.226477D+02 -0.816112D+01 -0.228859D+02  0.922314D+01
      5  -0.202234D+02 -0.218741D+02 -0.217353D+02  0.214043D+02  0.123394D+02
      6  -0.386787D+01 -0.106148D+02 -0.522451D+01  0.781293D+01 -0.609918D+01
               101           102           103           104           105 
      1   0.238430D+01  0.380401D+01  0.174803D+02  0.567854D+01  0.124924D+01
      2  -0.989724D+00 -0.234025D+01 -0.171025D+02  0.256452D+01  0.334954D+01
      3  -0.139458D+01 -0.146376D+01 -0.377779D+00 -0.824306D+01 -0.459877D+01
      4   0.357627D+01 -0.434519D+01  0.161273D+01 -0.190643D+02  0.110123D+02
      5  -0.592490D+01 -0.329689D+01 -0.148039D+02  0.134947D+02  0.345318D+02
      6   0.484931D+01  0.731026D+01  0.736498D+01 -0.137245D+02 -0.198957D+02
               106           107           108           109           110 
      1   0.177354D+02 -0.357585D+00 -0.184886D+00  0.181587D+02 -0.142390D+02
      2  -0.171659D+00 -0.116139D+02  0.292727D+01 -0.109882D+02  0.680131D+01
      3  -0.175638D+02  0.119715D+02 -0.274238D+01 -0.717049D+01  0.743770D+01
      4  -0.157148D+02  0.337906D+02  0.266877D+02 -0.197677D+02  0.167910D+02
      5  -0.216756D+02  0.276449D+02  0.176375D+02 -0.289647D+02  0.953096D+01
      6   0.151855D+02 -0.231207D+02 -0.123422D+02  0.120017D+02 -0.320224D+01
               111           112           113           114           115 
      1  -0.214604D+02 -0.157717D+02 -0.789134D+01 -0.669541D+01 -0.297408D+02
      2   0.137843D+02  0.503310D+01  0.171261D+02  0.440333D+01  0.165691D+02
      3   0.767614D+01  0.107386D+02 -0.923476D+01  0.229208D+01  0.131717D+02
      4   0.124012D+02  0.288737D+02 -0.320704D+02 -0.244791D+02  0.279680D+02
      5   0.209533D+02  0.201414D+02 -0.268984D+02 -0.291432D+02  0.382751D+02
      6  -0.510467D+01 -0.932443D+01  0.262274D+02  0.271883D+02 -0.163384D+02
               116           117           118           119           120 
      1  -0.469008D+01 -0.567261D+01  0.860859D+01 -0.496157D+01  0.121989D+02
      2   0.823909D+01 -0.144373D+02 -0.731443D+01  0.899679D+01 -0.835546D+01
      3  -0.354901D+01  0.201099D+02 -0.129416D+01 -0.403522D+01 -0.384346D+01
      4  -0.351878D+02 -0.273285D+02 -0.502934D+00 -0.742966D+01 -0.297658D+01
      5  -0.305514D+02 -0.658461D+02  0.107306D+02  0.152737D+01  0.739550D+01
      6   0.292886D+02  0.370973D+02 -0.407671D+01 -0.210523D+01 -0.151123D+01
               121           122           123           124           125 
      1  -0.160536D+01 -0.251731D+01  0.349637D+01  0.180864D+02  0.120046D+01
      2   0.121352D+02 -0.211652D+02  0.559381D+00 -0.109845D+02 -0.318798D+00
      3  -0.105298D+02  0.236826D+02 -0.405575D+01 -0.710186D+01 -0.881662D+00
      4  -0.196502D+02  0.523590D+02 -0.153876D+01 -0.801074D+01  0.587033D+01
      5   0.333395D+01 -0.204531D+01 -0.188079D+01  0.171922D+02 -0.113698D+02
      6  -0.497921D+01  0.531656D+01  0.671864D+01 -0.458300D+01  0.132176D+02
               126           127           128           129           130 
      1  -0.131516D+01  0.231467D+01  0.229306D+01 -0.134745D+01 -0.110086D+00
      2  -0.763723D+01 -0.225444D+01 -0.246630D+01 -0.155958D+01  0.842614D+00
      3   0.895239D+01 -0.602304D-01  0.173243D+00  0.290703D+01 -0.732529D+00
      4  -0.107209D+02 -0.102525D+02  0.773887D+01 -0.811707D+01  0.510484D+01
      5   0.301823D+02  0.157072D+02 -0.570944D+01  0.142152D+02 -0.828909D+01
      6  -0.175500D+02 -0.876615D+01  0.591211D+01 -0.875499D+01  0.579197D+01
               131           132           133           134           135 
      1  -0.387952D+01  0.479042D+01 -0.474802D+01  0.798943D+01 -0.148004D+02
      2   0.193588D+01 -0.400851D-01 -0.167343D+01 -0.383813D+01 -0.192981D+01
      3   0.194364D+01 -0.475033D+01  0.642145D+01 -0.415130D+01  0.167302D+02
      4  -0.573791D+01  0.598047D+01 -0.861835D+01  0.752354D+01 -0.107867D+02
      5   0.516652D+01 -0.840614D+01  0.154493D+02 -0.799632D+01  0.208753D+02
      6  -0.640338D+01  0.880751D+01 -0.109373D+02  0.121784D+02 -0.192327D+02
               136           137           138           139           140 
      1  -0.302997D+01 -0.172857D+01  0.564509D+01 -0.248800D+01 -0.431838D+01
      2  -0.274050D+01  0.202070D+00  0.280006D+01 -0.571773D+00  0.654463D+00
      3   0.577047D+01  0.152651D+01 -0.844515D+01  0.305977D+01  0.366392D+01
      4   0.542125D+01  0.366389D+01 -0.555044D+01  0.208250D+01  0.148425D+01
      5  -0.895878D+01 -0.341186D+01  0.116559D+02 -0.318164D+01 -0.225913D+01
      6  -0.610976D+01 -0.345402D+01  0.656778D+01 -0.284824D+01 -0.483924D+01
               141           142           143           144           145 
      1   0.815877D+01  0.787518D+01  0.108832D+02 -0.294613D+02  0.277568D+01
      2   0.556901D+00  0.194340D+01 -0.287469D+01 -0.527530D+01 -0.586791D+01
      3  -0.871567D+01 -0.981859D+01 -0.800848D+01  0.347366D+02  0.309223D+01
      4  -0.271857D+01 -0.573411D+01 -0.532180D+01  0.820107D+01 -0.111826D+01
      5   0.363988D+01  0.104141D+02  0.513405D+01 -0.166859D+02  0.119574D+02
      6   0.861701D+01  0.886585D+01  0.129535D+02 -0.242701D+02 -0.718432D+00
               146           147           148           149           150 
      1   0.398783D+00 -0.117120D+01  0.821018D+00 -0.164007D+01  0.502348D+01
      2   0.944566D+00 -0.474107D+01  0.211986D+01 -0.396368D+00  0.280440D+01
      3  -0.134335D+01  0.591226D+01 -0.294088D+01  0.203644D+01 -0.782788D+01
      4   0.327783D+01 -0.926667D+00  0.241597D+01 -0.307645D+01  0.107798D+01
      5  -0.294426D+01  0.103812D+02 -0.432108D+01  0.322069D+01 -0.656038D+01
      6   0.151959D+01 -0.847735D+00  0.775740D+00 -0.274621D+01  0.217068D+01
               151           152           153           154           155 
      1  -0.394902D+01  0.404243D+01 -0.136497D+02 -0.124892D+00  0.586979D+00
      2  -0.612350D+01  0.140038D+01 -0.964093D+01 -0.569159D+01 -0.148356D+01
      3   0.100725D+02 -0.544281D+01  0.232906D+02  0.581648D+01  0.896580D+00
      4  -0.128421D+01  0.252547D+01 -0.163225D+01  0.120623D+01  0.267266D+01
      5   0.127751D+02 -0.407976D+01  0.162189D+02 -0.984970D+01 -0.230488D+01
      6  -0.155227D+01  0.455797D+01 -0.320093D+01  0.841853D+00 -0.140475D+01
               156           157           158           159           160 
      1   0.275514D+01 -0.234199D+01 -0.290133D+01  0.689105D+01  0.411397D+01
      2   0.587560D+01 -0.403920D+00 -0.567890D+00  0.300588D+01  0.754260D+01
      3  -0.863074D+01  0.274591D+01  0.346922D+01 -0.989694D+01 -0.116566D+02
      4  -0.530792D+00  0.114722D+01  0.911433D+00 -0.150653D+01 -0.205097D+01
      5   0.124241D+02 -0.204035D+01 -0.258766D+01  0.356664D+01  0.130569D+02
      6  -0.163858D+01 -0.105012D+01 -0.231726D+01  0.147915D+01  0.794006D-01
               161           162           163           164           165 
      1   0.341841D+01 -0.229160D+02  0.109016D+02 -0.289188D+01 -0.889384D+01
      2   0.230844D+01 -0.164367D+02 -0.835845D+01  0.938044D+00  0.635545D+01
      3  -0.572685D+01  0.393527D+02 -0.254320D+01  0.195383D+01  0.253839D+01
      4  -0.336677D+01  0.197676D+01 -0.690731D+01  0.109865D+02  0.741728D+01
      5   0.399773D+01 -0.211711D+02 -0.163342D+02  0.560135D+01  0.169634D+02
      6   0.476619D+01 -0.669238D-02  0.494592D+01 -0.194565D+01 -0.317418D+01
               166           167           168           169           170 
      1   0.466070D+01  0.131619D+01 -0.255311D+01 -0.173458D+02 -0.388746D+01
      2  -0.355840D+01  0.799114D+00  0.131969D+01  0.146624D+02  0.561689D+00
      3  -0.110230D+01 -0.211530D+01  0.123343D+01  0.268341D+01  0.332577D+01
      4   0.128290D+02 -0.103421D+02 -0.935914D+01  0.144273D+02 -0.156650D+02
      5   0.543979D+01 -0.929526D+01 -0.977233D+01  0.297251D+02 -0.202228D+02
      6  -0.360008D+01  0.677571D+01  0.989087D+01 -0.103936D+02  0.122870D+02
               171           172           173           174           175 
      1  -0.265827D+01  0.217195D+02 -0.106727D+02  0.652103D+01 -0.113773D+02
      2  -0.115216D+02 -0.465824D+01  0.137614D+00 -0.188675D+01 -0.393390D+01
      3   0.141798D+02 -0.170613D+02  0.105351D+02 -0.463427D+01  0.153112D+02
      4  -0.235959D+02 -0.233104D+02  0.264523D+02 -0.625295D+01  0.343144D+02
      5  -0.500757D+02  0.940599D+01 -0.425686D+01  0.804760D+01 -0.553693D+01
      6   0.194967D+02 -0.314670D+01  0.558059D+00 -0.176107D+01  0.253875D+01
               176           177           178           179           180 
      1   0.438309D+01 -0.565380D+00  0.195015D+02 -0.106195D+01  0.272974D+01
      2   0.172510D+02 -0.442548D+01 -0.511133D+01 -0.657936D+01  0.116675D+00
      3  -0.216341D+02  0.499086D+01 -0.143902D+02  0.764132D+01 -0.284642D+01
      4  -0.459909D+02  0.124143D+02 -0.165486D+02  0.245312D+02 -0.148312D+02
      5   0.113186D+02 -0.892254D+01  0.112419D+02 -0.131134D+02  0.816244D+01
      6  -0.481569D+01  0.564987D+01 -0.497295D+01  0.650792D+01 -0.420656D+01
               181           182           183           184           185 
      1   0.149339D+03 -0.179535D+02 -0.169757D+02 -0.296811D+02  0.137952D+02
      2  -0.758866D+02  0.944342D+01  0.827360D+01  0.146670D+02 -0.503921D+01
      3  -0.734526D+02  0.851012D+01  0.870213D+01  0.150140D+02 -0.875601D+01
      4  -0.133979D+02  0.136815D+02  0.158562D+01  0.179893D+02 -0.869751D+01
      5  -0.194683D+02  0.226513D+01  0.165714D+02  0.265699D+01 -0.603889D+01
      6   0.649521D+00 -0.105248D+01  0.157486D+01 -0.134839D+01 -0.758299D-01
               186           187           188           189           190 
      1   0.311130D+01 -0.207178D+02  0.208759D+01  0.165250D+02 -0.461620D+02
      2  -0.216539D+01  0.117907D+02 -0.202369D+01 -0.101793D+02  0.229315D+02
      3  -0.945907D+00  0.892708D+01 -0.638913D-01 -0.634570D+01  0.232305D+02
      4  -0.564222D+01  0.500592D+00 -0.527568D+01 -0.215946D-01 -0.448719D+01
      5  -0.523567D+00  0.238547D+02 -0.291269D+00 -0.438813D+01 -0.111037D+02
      6   0.253521D+01 -0.637696D-01  0.271056D+01  0.831643D+00  0.602568D+01
               191           192           193           194           195 
      1   0.101149D+02  0.132591D+02  0.960747D+01 -0.712620D+01 -0.549022D+01
      2  -0.582210D+01 -0.206119D+01 -0.455212D+01  0.444233D+01  0.384024D+01
      3  -0.429281D+01 -0.111979D+02 -0.505534D+01  0.268388D+01  0.164998D+01
      4  -0.277889D+01 -0.130876D+01  0.261210D+01  0.349460D+01  0.562965D+01
      5  -0.136265D+01 -0.748229D+01  0.729886D+00  0.493016D+01 -0.160564D-01
      6  -0.539926D+01 -0.655333D+01 -0.182435D+01  0.425979D+01  0.506425D+01
               196           197           198           199           200 
      1   0.102893D+02 -0.290791D+01 -0.872552D+01  0.328609D+02  0.209182D+02
      2  -0.259659D+01  0.157467D+01  0.360352D+00 -0.140750D+02 -0.535842D+01
      3  -0.769273D+01  0.133324D+01  0.836516D+01 -0.187859D+02 -0.155598D+02
      4   0.724490D+00  0.362799D+01 -0.138850D+01  0.339628D+02  0.322390D+02
      5   0.245624D+01 -0.129213D+01  0.371492D+01  0.271808D+02  0.172529D+02
      6  -0.324233D+01  0.410009D+01  0.212811D+01  0.126417D+02  0.116847D+02
               201           202           203           204           205 
      1   0.133644D+02  0.250001D+02  0.154706D+02  0.617469D+01  0.695832D+01
      2  -0.927539D+01 -0.623671D+01  0.289262D+01 -0.286031D+01 -0.603234D+01
      3  -0.408902D+01 -0.187634D+02 -0.183632D+02 -0.331438D+01 -0.925981D+00
      4   0.139877D+02  0.408522D+02  0.491746D+02  0.243109D+02  0.969021D+01
      5   0.217322D+02  0.249792D+02  0.283349D+02  0.214424D+02  0.180984D+02
      6   0.800203D+01  0.157223D+02  0.211764D+02  0.150574D+02  0.729122D+01
               206           207           208           209           210 
      1   0.175683D+01  0.635702D+01  0.109262D+02 -0.631451D+01  0.125486D+02
      2  -0.175271D+01 -0.558689D+01 -0.928318D+01  0.587498D+01 -0.111676D+02
      3  -0.412156D-02 -0.770125D+00 -0.164298D+01  0.439532D+00 -0.138095D+01
      4   0.120690D+02  0.115167D+02 -0.692126D+01  0.127573D+02 -0.591945D+01
      5   0.120945D+02  0.143149D+02  0.174619D+02 -0.824948D+01  0.190123D+02
      6   0.105404D+02  0.759940D+01 -0.140025D+01  0.428959D+01 -0.166714D+01
               211           212           213           214           215 
      1  -0.115811D+02  0.670950D+01 -0.424088D+01  0.103906D+02 -0.160786D+01
      2   0.109288D+02 -0.925500D+01  0.149859D+02 -0.116096D+02  0.103992D+02
      3   0.652212D+00  0.254550D+01 -0.107451D+02  0.121901D+01 -0.879137D+01
      4   0.135943D+02 -0.264797D+02  0.223513D+02 -0.567880D+01  0.163350D+02
      5  -0.161726D+02  0.254117D+02 -0.339633D+02  0.198191D+02 -0.195233D+02
      6   0.521968D+01 -0.119506D+02  0.938551D+01 -0.231125D+01  0.976991D+01
               216           217           218           219           220 
      1   0.224728D+01  0.151154D+01  0.226905D+01 -0.861543D+01 -0.149465D+01
      2  -0.192673D+02 -0.285475D+01  0.463632D+00  0.703518D+01  0.302592D+01
      3   0.170200D+02  0.134321D+01 -0.273268D+01  0.158026D+01 -0.153127D+01
      4  -0.176007D+02  0.302908D+01  0.664147D+01 -0.255754D+01  0.440197D+01
      5   0.366520D+02 -0.107718D+02 -0.103572D+01  0.147045D+02  0.167526D+01
      6  -0.758640D+01 -0.252080D+01 -0.132012D+01  0.194245D+01 -0.729623D+00
               221           222           223           224           225 
      1   0.509194D+00  0.393501D-01 -0.863938D+01  0.189388D+01 -0.117062D+02
      2  -0.135971D+01 -0.519714D+01  0.903842D+01 -0.418703D+01 -0.259678D+02
      3   0.850516D+00  0.515779D+01 -0.399044D+00  0.229315D+01  0.376740D+02
      4  -0.101847D+00 -0.438170D+01 -0.518808D+01 -0.861262D+01  0.354301D+01
      5  -0.531512D+01 -0.125059D+02  0.178701D+02  0.265305D+01 -0.696646D+02
      6   0.190905D+00  0.284140D+01  0.467846D+01  0.726068D+01 -0.239634D+02
               226           227           228           229           230 
      1   0.260750D+02  0.201024D+02  0.140384D+01  0.182048D+02  0.103109D+02
      2   0.114890D+00  0.546511D+01  0.364555D+00  0.852939D+01  0.275417D+02
      3  -0.261899D+02 -0.255675D+02 -0.176840D+01 -0.267342D+02 -0.378525D+02
      4   0.404657D+02  0.447162D+02 -0.186178D+01  0.472351D+02  0.686517D+02
      5  -0.438049D+01 -0.572133D+01  0.947955D+01 -0.603090D+01 -0.533703D+01
      6  -0.358084D+01 -0.509157D+01  0.540349D+01 -0.524670D+01 -0.888087D+01
               231           232           233           234           235 
      1  -0.408995D+00  0.658604D+01  0.193980D+01  0.339920D+01 -0.428466D+02
      2   0.872200D+00  0.562429D+00  0.501790D+01 -0.141926D+01  0.286362D+02
      3  -0.463205D+00 -0.714847D+01 -0.695771D+01 -0.197993D+01  0.142104D+02
      4  -0.194740D+01  0.822073D+01  0.136947D+02  0.705812D+01 -0.130599D+02
      5   0.675112D+01  0.741821D+01  0.560234D+01 -0.181507D+01  0.121324D+02
      6   0.634341D+01  0.418030D+01  0.471953D+01  0.173818D+00  0.246513D+00
               236           237           238           239           240 
      1   0.142630D+02  0.135556D+01  0.108226D+02 -0.988102D+01  0.233896D+00
      2  -0.141079D+02 -0.176963D+01 -0.832389D+01  0.121155D+02  0.207546D+00
      3  -0.155097D+00  0.414066D+00 -0.249875D+01 -0.223447D+01 -0.441442D+00
      4  -0.391104D+01  0.338171D+01  0.364390D+01  0.529697D+01  0.310918D+00
      5   0.663337D+00 -0.610680D+01 -0.190049D+01  0.199559D+01 -0.379413D+00
      6   0.350890D+01 -0.480448D+01  0.123933D+01 -0.162842D+01  0.984456D+00
               241           242           243           244           245 
      1   0.586578D+01 -0.277690D+01 -0.555384D+01  0.245685D+01  0.388323D+01
      2  -0.340678D+01  0.382480D+01  0.951701D-01 -0.406224D+01 -0.219338D+01
      3  -0.245899D+01 -0.104790D+01  0.545867D+01  0.160540D+01 -0.168985D+01
      4   0.148681D+01  0.375476D+01 -0.125429D+01  0.623028D+01  0.691055D+01
      5  -0.124424D+01 -0.448160D-01 -0.374529D+01 -0.106847D+02 -0.270835D+01
      6  -0.240287D+01  0.136643D+01 -0.888701D+00 -0.429409D+01 -0.480237D+00
               246           247           248           249           250 
      1  -0.595527D+01  0.443455D+01 -0.291343D+00  0.194342D+01 -0.776637D+01
      2   0.454723D+01 -0.216806D+01  0.131896D+01 -0.161053D+01  0.763353D+01
      3   0.140804D+01 -0.226649D+01 -0.102762D+01 -0.332888D+00  0.132835D+00
      4  -0.358514D+01  0.103344D+02  0.619753D+01 -0.706160D+01 -0.603421D+01
      5   0.122944D+02 -0.371218D+01 -0.719847D+01  0.110480D+02  0.162728D+02
      6   0.255982D+01 -0.210738D+01 -0.603716D+01  0.818990D+01  0.430639D+01
               251           252           253           254           255 
      1   0.207527D+01 -0.448438D+01 -0.880894D+02 -0.523396D+01  0.793320D+01
      2   0.105419D+01 -0.974491D+01  0.449612D+02  0.103257D+02 -0.566854D+01
      3  -0.312946D+01  0.142293D+02  0.431281D+02 -0.509171D+01 -0.226466D+01
      4  -0.105406D+02  0.108133D+02 -0.943080D+01  0.265918D+02  0.115253D+02
      5   0.954709D+01 -0.353880D+02  0.129279D+02  0.871578D+01  0.153640D+02
      6   0.739586D+01 -0.127785D+02  0.961683D+01  0.654584D+01  0.544050D+01
               256           257           258           259           260 
      1   0.190757D+02  0.358704D+02  0.371331D+01  0.320952D+02  0.393101D+01
      2  -0.659514D+01 -0.401768D+02 -0.779466D+01 -0.139423D+02 -0.328460D+01
      3  -0.124805D+02  0.430638D+01  0.408135D+01 -0.181529D+02 -0.646410D+00
      4   0.296606D+02 -0.305756D+02  0.516823D+01  0.236025D+02  0.157350D+02
      5   0.139564D+02  0.782253D+01  0.183338D+02  0.225016D+02  0.198466D+02
      6   0.715223D+01 -0.436379D+01  0.624191D+01  0.955486D+01  0.844852D+01
               261           262           263           264           265 
      1   0.159515D+02  0.746377D+01 -0.931371D+01  0.303688D+01 -0.695279D+01
      2   0.548417D+01  0.201359D+01 -0.885385D+00 -0.247213D+00 -0.101552D+02
      3  -0.214357D+02 -0.947736D+01  0.101991D+02 -0.278967D+01  0.171080D+02
      4   0.231957D+02 -0.157984D+02  0.193973D+02 -0.462903D+01  0.325736D+02
      5  -0.185704D+02  0.588026D+01 -0.484487D+01  0.404960D+01 -0.928398D+01
      6  -0.290689D+01 -0.383866D+01  0.338675D+01 -0.163401D+01  0.716869D+01
               266           267           268           269           270 
      1  -0.567594D+01  0.657034D+00  0.437767D+00  0.108950D+01 -0.791484D+00
      2   0.375429D+02 -0.674236D+01 -0.219141D+01  0.380320D+01  0.161027D+01
      3  -0.318669D+02  0.608533D+01  0.175364D+01 -0.489270D+01 -0.818784D+00
      4  -0.677368D+02  0.149213D+02  0.176499D+01 -0.352805D+01 -0.488995D+01
      5   0.162081D+02 -0.120654D+02  0.364818D+01 -0.500443D+01  0.539831D+01
      6  -0.163207D+02  0.891041D+01 -0.224886D+01  0.540030D+01 -0.367293D+01
               271           272           273           274           275 
      1   0.641142D+01 -0.333363D+00  0.533942D+01 -0.725140D+01 -0.585286D+01
      2  -0.596366D+01 -0.799966D+00 -0.202574D+01  0.384995D+01  0.309961D+01
      3  -0.447756D+00  0.113333D+01 -0.331368D+01  0.340145D+01  0.275325D+01
      4  -0.121093D+01 -0.322441D+01 -0.368286D+00 -0.268983D+01 -0.229944D+01
      5   0.304800D+01 -0.170559D+01 -0.755193D-01 -0.439088D+01  0.366117D+01
      6  -0.462297D+00 -0.149770D+01 -0.117920D+01 -0.631875D+00 -0.160250D+00
               276           277           278           279           280 
      1  -0.398211D+00  0.103353D+02  0.284705D-02 -0.116329D+02  0.135356D+03
      2   0.498192D+01 -0.699832D+01  0.442089D+01 -0.157545D+02 -0.643955D+02
      3  -0.458371D+01 -0.333700D+01 -0.442374D+01  0.273875D+02 -0.709606D+02
      4   0.400086D+01  0.476201D+01  0.876722D+01 -0.357488D+01  0.425623D+02
      5  -0.973065D+01  0.997787D+01 -0.258865D+01  0.433520D+02  0.106374D+02
      6   0.117638D+01  0.147337D+01  0.341792D+01  0.124803D+02 -0.285438D+00
               281           282           283           284           285 
      1   0.995849D+01 -0.116993D+01 -0.807831D+01  0.706910D+01 -0.428856D+00
      2  -0.143450D+01 -0.296674D+00  0.656516D+01 -0.248281D+00  0.710513D+00
      3  -0.852399D+01  0.146660D+01  0.151315D+01 -0.682082D+01 -0.281657D+00
      4   0.176868D+02  0.966660D+00  0.125715D+02  0.594963D+01 -0.102124D+01
      5   0.150321D+01  0.130514D+02 -0.165071D+01 -0.690531D+00 -0.226703D+01
      6   0.179765D+01  0.357167D+01  0.462406D+00  0.521891D+00  0.174779D+00
               286           287           288           289           290 
      1  -0.181799D+02 -0.185528D+01  0.897209D+01  0.235569D+01  0.131154D+02
      2   0.751942D+01 -0.414323D-01 -0.665698D+01  0.157272D+01 -0.131008D+02
      3   0.106605D+02  0.189671D+01 -0.231510D+01 -0.392841D+01 -0.145978D-01
      4  -0.767090D+01 -0.463458D+01  0.127566D+01  0.444357D+01 -0.647240D+01
      5   0.124818D+02 -0.498058D+00 -0.409114D+00 -0.172130D+01 -0.641182D+00
      6   0.316917D+01  0.659418D+00 -0.487405D+00 -0.162316D+00 -0.276721D+01
               291           292           293           294           295 
      1   0.257918D+00  0.107556D+02 -0.313773D+02 -0.289304D+01 -0.408604D+01
      2  -0.356510D+00 -0.295393D+01  0.543394D+02  0.317966D+01  0.742503D+00
      3   0.985919D-01 -0.780172D+01 -0.229622D+02 -0.286616D+00  0.334353D+01
      4  -0.217169D+01  0.124926D+02  0.622123D+02  0.675130D+01 -0.325090D+01
      5  -0.252675D+01  0.305487D+01  0.422484D+01  0.714939D+01  0.306015D+00
      6  -0.218104D+01  0.695984D+00  0.119510D+02  0.760111D+01 -0.302490D-01
               296           297 
      1  -0.983197D+00 -0.537650D+01
      2  -0.159629D+01  0.396446D+01
      3   0.257949D+01  0.141204D+01
      4  -0.475187D+01  0.399202D+01
      5   0.477396D+01  0.228495D+01
      6   0.691903D+01  0.153178D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.339578D+00      0.863121D+00      0.287906D+01
   y         -0.287273D+00     -0.730175D+00     -0.243560D+01
   z         -0.613777D+00     -0.156006D+01     -0.520381D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.198599D+03      0.294294D+02      0.327446D+02
   yx        -0.102312D+01     -0.151610D+00     -0.168689D+00
   yy         0.129438D+03      0.191808D+02      0.213415D+02
   zx        -0.560188D+00     -0.830113D-01     -0.923625D-01
   zy        -0.677632D+01     -0.100415D+01     -0.111726D+01
   zz         0.147115D+03      0.218002D+02      0.242560D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.172694D+03      0.255906D+02      0.284734D+02
   aniso      0.712699D+02      0.105611D+02      0.117508D+02
   xx         0.218240D+03      0.323399D+02      0.359830D+02
   yx        -0.171584D+01     -0.254262D+00     -0.282904D+00
   yy         0.140714D+03      0.208516D+02      0.232005D+02
   zx        -0.616420D+00     -0.913441D-01     -0.101634D+00
   zy        -0.701286D+01     -0.103920D+01     -0.115626D+01
   zz         0.159128D+03      0.235803D+02      0.262366D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.28760434          2.59832437          0.22003044
     6          2.32589666          1.02981360          2.33546913
     6          0.15220063          2.78471432         -1.29390047
     6         -2.02627646          1.42109783         -0.73256865
     6         -2.00620346         -0.14115640          1.38928449
     6          0.13274060         -0.32507274          2.89328617
     6          4.66390755          0.76991602          3.93661390
     6          6.50351923         -1.34720087          3.10764077
     6          7.58604220         -0.88772567          0.47032298
     6          5.30942210         -3.97021009          3.28812522
     6         -4.34614380          1.67163823         -2.40637590
     6         -4.74517648         -0.76268360         -3.87141974
     8         -4.10025025         -1.10992945         -6.02315397
     8         -5.90052059         -2.57841186         -2.48352844
     1          3.95052802          3.69437260         -0.25093480
     1          0.17690336          4.01254203         -2.93151482
     1         -3.66687951         -1.23369200          1.86527738
     1          0.09818141         -1.54287017          4.53797168
     1          4.10906574          0.41242613          5.89389610
     1          5.69473309          2.55975554          3.92707375
     1          8.07460579         -1.27704677          4.45407549
     1          6.10900048         -0.97633875         -0.96693703
     1          8.99978794         -2.31685426          0.00633977
     1          8.48995435          0.96325697          0.33693319
     1          4.57495100         -4.33742109          5.18202266
     1          6.69901103         -5.43201851          2.85389788
     1          3.74934185         -4.17095621          1.95347297
     1         -3.92223151          3.07486282         -3.85198237
     6         -6.70977565          2.49348876         -0.94683459
     1         -6.00720084         -4.06751156         -3.54672920
     1         -7.20436234          1.13142946          0.51243645
     1         -8.32499589          2.68994272         -2.21354289
     1         -6.36078557          4.31319840         -0.04633557

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.757998D+00      0.192664D+01      0.642657D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.186471D+03      0.276322D+02      0.307450D+02
   yx         0.467470D+00      0.692719D-01      0.770754D-01
   yy         0.137178D+03      0.203276D+02      0.226175D+02
   zx         0.233931D+02      0.346650D+01      0.385700D+01
   zy        -0.121619D+02     -0.180221D+01     -0.200522D+01
   zz         0.151504D+03      0.224506D+02      0.249796D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.172694D+03      0.255906D+02      0.284734D+02
   aniso      0.712699D+02      0.105611D+02      0.117508D+02
   xx         0.204327D+03      0.302782D+02      0.336890D+02
   yx         0.540505D+00      0.800946D-01      0.891173D-01
   yy         0.148682D+03      0.220324D+02      0.245143D+02
   zx         0.267495D+02      0.396386D+01      0.441039D+01
   zy        -0.126348D+02     -0.187228D+01     -0.208320D+01
   zz         0.165072D+03      0.244612D+02      0.272167D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-33\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.999465,-1.196404,0.969136\C,1.596854,-0.854615,-0.24280
 5\C,-0.373383,-1.089601,1.14899\C,-1.197567,-0.646006,0.11854\C,-0.607
 54,-0.309456,-1.099214\C,0.764497,-0.415297,-1.273478\C,3.089352,-0.93
 3039,-0.42674\C,3.863458,0.355956,-0.060011\C,3.724742,0.714773,1.4188
 41\C,3.474654,1.53835,-0.94648\C,-2.69829,-0.54755,0.336035\C,-3.11249
 2,0.912406,0.380989\O,-3.301927,1.54513,1.386242\O,-3.236904,1.461286,
 -0.851756\H,1.615792,-1.553364,1.784982\H,-0.810943,-1.358118,2.102796
 \H,-1.221792,0.044896,-1.915977\H,1.198598,-0.153574,-2.230639\H,3.310
 06,-1.178961,-1.468652\H,3.483227,-1.75192,0.18068\H,4.918355,0.129746
 ,-0.250425\H,2.693477,0.97286,1.666766\H,4.350853,1.574253,1.666193\H,
 4.026509,-0.115358,2.061505\H,3.596304,1.300958,-2.005766\H,4.098076,2
 .406584,-0.724159\H,2.434212,1.826365,-0.784696\H,-2.911214,-0.920205,
 1.337383\C,-3.505151,-1.357997,-0.684885\H,-3.465219,2.394674,-0.72011
 5\H,-3.324283,-1.011646,-1.700587\H,-4.575148,-1.279853,-0.485627\H,-3
 .217816,-2.407791,-0.623061\\Version=ES64L-G16RevA.03\State=1-A\HF=-65
 7.021968\RMSD=3.873e-09\RMSF=1.294e-05\ZeroPoint=0.2846317\Thermal=0.3
 001377\Dipole=0.3395778,-0.2872728,-0.6137765\DipoleDeriv=-0.1169159,-
 0.0401297,0.0652972,-0.0456209,-0.088778,-0.0417428,0.1145143,-0.05361
 64,0.0270118,0.3048065,0.0515361,-0.0195041,0.0171309,-0.1083717,-0.01
 75288,-0.0401937,-0.0188526,-0.0665491,-0.0703314,0.0170497,-0.0491132
 ,0.0102941,-0.0927502,-0.0461573,-0.0196545,-0.0701305,0.0637504,0.286
 1031,-0.126781,-0.0125423,-0.0193181,-0.1387129,-0.018403,-0.0468732,0
 .0050898,-0.067066,-0.0807332,-0.0103113,0.0399794,-0.0292296,-0.09179
 43,-0.0517918,0.0624868,-0.0412567,-0.0026506,-0.1197872,-0.0050375,-0
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 AN OPTIMIST IS A GUY
 THAT HAS NEVER HAD
 MUCH EXPERIENCE
   (CERTAIN MAXIMS OF ARCHY  -- DON MARQUIS)
 Job cpu time:       0 days 19 hours  5 minutes  7.0 seconds.
 Elapsed time:       0 days  2 hours 23 minutes 14.4 seconds.
 File lengths (MBytes):  RWF=    705 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:52:54 2021.
